(3-carbonochloridoylphenyl)azanium

C7H7ClNO+ — CID 143753008

IUPAC(3-carbonochloridoylphenyl)azanium
SMILES[NH3+]c1cccc(C(=O)Cl)c1
InChIInChI=1S/C7H6ClNO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H,9H2/p+1
InChIKeyRMDIYHSHNBKVJS-UHFFFAOYSA-O
MW156.59 g/mol
LogP0.94
Rot. Bonds1

About (3-carbonochloridoylphenyl)azanium

(3-carbonochloridoylphenyl)azanium (PubChem CID 143753008) has the molecular formula C7H7ClNO+ and a molecular weight of 156.59 g/mol. Its IUPAC name is (3-carbonochloridoylphenyl)azanium.

Molecular Properties

Compound Name(3-carbonochloridoylphenyl)azanium
PubChem CID143753008
Molecular FormulaC7H7ClNO+
Molecular Weight156.59 g/mol
Exact Mass156.02
IUPAC Name(3-carbonochloridoylphenyl)azanium
SMILES[NH3+]c1cccc(C(=O)Cl)c1
InChIInChI=1S/C7H6ClNO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H,9H2/p+1
InChIKeyRMDIYHSHNBKVJS-UHFFFAOYSA-O
XLogP0.94
TPSA44.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.59
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride
CID 88623583
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
(3-carbonochloridoylbenzoyl)chloranium
CID 148573269
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
CID 101056667
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
3-(bromomethoxy)benzoyl chloride
CID 174361316
3-(difluoromethyl)benzoyl chloride
CID 58552883
3-(bromoamino)benzoyl chloride
CID 174883309
3-(fluoromethyl)benzoyl chloride
CID 88536338
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
benzoyl chloride;selane
CID 174449470

Frequently Asked Questions

What is the IUPAC name of (3-carbonochloridoylphenyl)azanium?
The IUPAC name of (3-carbonochloridoylphenyl)azanium (CID 143753008) is (3-carbonochloridoylphenyl)azanium.
What is the SMILES notation for (3-carbonochloridoylphenyl)azanium?
The canonical SMILES for (3-carbonochloridoylphenyl)azanium is [NH3+]c1cccc(C(=O)Cl)c1.
What is the InChIKey of (3-carbonochloridoylphenyl)azanium?
The InChIKey is RMDIYHSHNBKVJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6ClNO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H,9H2/p+1.
What are the key properties of (3-carbonochloridoylphenyl)azanium?
(3-carbonochloridoylphenyl)azanium has a molecular weight of 156.59 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbonochloridoylphenyl)azanium is sourced from PubChem (CID 143753008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).