N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine

C9H9BrClNO — CID 88781630

IUPACN-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine
SMILESON=C(CCl)Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrClNO/c10-8-3-1-7(2-4-8)5-9(6-11)12-13/h1-4,13H,5-6H2
InChIKeyCHUFQPVPOMVGGR-UHFFFAOYSA-N
MW262.53 g/mol
LogP3.06
Rot. Bonds3

About N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine

N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine (PubChem CID 88781630) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine
PubChem CID88781630
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC NameN-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine
SMILESON=C(CCl)Cc1ccc(Br)cc1
InChIInChI=1S/C9H9BrClNO/c10-8-3-1-7(2-4-8)5-9(6-11)12-13/h1-4,13H,5-6H2
InChIKeyCHUFQPVPOMVGGR-UHFFFAOYSA-N
XLogP3.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-(4-bromophenyl)-N-hydroxyethanimidoyl chloride
CID 59255304
1-bromo-4-(2-chloroprop-2-enyl)benzene
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CID 165486392
1-bromo-4-(2-isocyanatoprop-2-enyl)benzene
CID 117267227
1-bromo-4-[2-(chloromethyl)prop-2-enoxymethyl]benzene
CID 103066182
4-[(Z)-C-[(4-bromophenyl)methyl]-N-hydroxycarbonimidoyl]benzene-1,3-diol
CID 135992550
2-(4-bromophenyl)acetic acid;2-(4-bromophenyl)acetyl chloride
CID 87964783
3-(4-bromophenyl)-2-oxopropanoic acid
CID 598758
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
(Z)-2,3-bis[(4-bromophenyl)methyl]but-2-enedioic acid
CID 19009870
1-bromo-4-[2-(isocyanatomethyl)prop-2-enyl]benzene
CID 117268948
3-(4-bromophenyl)-1-chloro-1,1-difluoropropan-2-one
CID 112574585

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine?
The IUPAC name of N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine (CID 88781630) is N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine is ON=C(CCl)Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine?
The InChIKey is CHUFQPVPOMVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c10-8-3-1-7(2-4-8)5-9(6-11)12-13/h1-4,13H,5-6H2.
What are the key properties of N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine?
N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine has a molecular weight of 262.53 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-chloropropan-2-ylidene]hydroxylamine is sourced from PubChem (CID 88781630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).