1-bromo-4-(3-nitrosopropyl)benzene

C9H10BrNO — CID 89180078

IUPAC1-bromo-4-(3-nitrosopropyl)benzene
SMILESO=NCCCc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h3-6H,1-2,7H2
InChIKeyVICDYZCSVVMFCM-UHFFFAOYSA-N
MW228.09 g/mol
LogP3.15
Rot. Bonds4

About 1-bromo-4-(3-nitrosopropyl)benzene

1-bromo-4-(3-nitrosopropyl)benzene (PubChem CID 89180078) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-bromo-4-(3-nitrosopropyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-nitrosopropyl)benzene
PubChem CID89180078
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-bromo-4-(3-nitrosopropyl)benzene
SMILESO=NCCCc1ccc(Br)cc1
InChIInChI=1S/C9H10BrNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h3-6H,1-2,7H2
InChIKeyVICDYZCSVVMFCM-UHFFFAOYSA-N
XLogP3.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
4-nitrosobutylbenzene;hydrochloride
CID 175082883
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CID 151024491
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
1,3-bis(4-bromophenyl)propan-2-one;1-bromo-4-[3-(4-bromophenyl)propyl]benzene
CID 157299042
1-bromo-4-tetradecylbenzene
CID 71337489
10-(4-bromophenyl)decan-1-amine
CID 70564089
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
4-(4-bromophenyl)butylphosphonic acid
CID 22708582
4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
1-bromo-4-[12-[12-(4-bromophenyl)dodecylsulfanyl]dodecyl]benzene
CID 141294018

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-nitrosopropyl)benzene?
The IUPAC name of 1-bromo-4-(3-nitrosopropyl)benzene (CID 89180078) is 1-bromo-4-(3-nitrosopropyl)benzene.
What is the SMILES notation for 1-bromo-4-(3-nitrosopropyl)benzene?
The canonical SMILES for 1-bromo-4-(3-nitrosopropyl)benzene is O=NCCCc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(3-nitrosopropyl)benzene?
The InChIKey is VICDYZCSVVMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-9-5-3-8(4-6-9)2-1-7-11-12/h3-6H,1-2,7H2.
What are the key properties of 1-bromo-4-(3-nitrosopropyl)benzene?
1-bromo-4-(3-nitrosopropyl)benzene has a molecular weight of 228.09 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-nitrosopropyl)benzene is sourced from PubChem (CID 89180078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).