1-chloro-4-(2-nitrosopropyl)benzene

C9H10ClNO — CID 134994118

IUPAC1-chloro-4-(2-nitrosopropyl)benzene
SMILESCC(Cc1ccc(Cl)cc1)N=O
InChIInChI=1S/C9H10ClNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeyMHNRHJIRRKMGGJ-UHFFFAOYSA-N
MW183.64 g/mol
LogP3.04
Rot. Bonds3

About 1-chloro-4-(2-nitrosopropyl)benzene

1-chloro-4-(2-nitrosopropyl)benzene (PubChem CID 134994118) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-chloro-4-(2-nitrosopropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-nitrosopropyl)benzene
PubChem CID134994118
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-chloro-4-(2-nitrosopropyl)benzene
SMILESCC(Cc1ccc(Cl)cc1)N=O
InChIInChI=1S/C9H10ClNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3
InChIKeyMHNRHJIRRKMGGJ-UHFFFAOYSA-N
XLogP3.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 60797754
[(2R)-1-(4-chlorophenyl)propan-2-yl]azanium
CID 6927062
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-(2-azidopropyl)-4-nitrosobenzene
CID 173493901
(2R)-1-(4-chlorophenyl)-N,N-dimethylpropan-2-amine
CID 59871381
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
(2S)-3-chloro-4-(4-chlorophenyl)butan-2-ol
CID 131029128
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
4-(4-chlorophenyl)-3-(propan-2-ylamino)butan-2-one
CID 59295770
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
1-chloro-4-(2-methylbut-3-enyl)benzene
CID 83931184

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-nitrosopropyl)benzene?
The IUPAC name of 1-chloro-4-(2-nitrosopropyl)benzene (CID 134994118) is 1-chloro-4-(2-nitrosopropyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-nitrosopropyl)benzene?
The canonical SMILES for 1-chloro-4-(2-nitrosopropyl)benzene is CC(Cc1ccc(Cl)cc1)N=O.
What is the InChIKey of 1-chloro-4-(2-nitrosopropyl)benzene?
The InChIKey is MHNRHJIRRKMGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7(11-12)6-8-2-4-9(10)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-chloro-4-(2-nitrosopropyl)benzene?
1-chloro-4-(2-nitrosopropyl)benzene has a molecular weight of 183.64 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-nitrosopropyl)benzene is sourced from PubChem (CID 134994118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).