1,2-dichloro-4-(1-nitrosoethyl)benzene

C8H7Cl2NO — CID 54263206

IUPAC1,2-dichloro-4-(1-nitrosoethyl)benzene
SMILESCC(N=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-5(11-12)6-2-3-7(9)8(10)4-6/h2-5H,1H3
InChIKeyQRGMWACEOHDMSG-UHFFFAOYSA-N
MW204.06 g/mol
LogP3.82
Rot. Bonds2

About 1,2-dichloro-4-(1-nitrosoethyl)benzene

1,2-dichloro-4-(1-nitrosoethyl)benzene (PubChem CID 54263206) has the molecular formula C8H7Cl2NO and a molecular weight of 204.06 g/mol. Its IUPAC name is 1,2-dichloro-4-(1-nitrosoethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(1-nitrosoethyl)benzene
PubChem CID54263206
Molecular FormulaC8H7Cl2NO
Molecular Weight204.06 g/mol
Exact Mass202.99
IUPAC Name1,2-dichloro-4-(1-nitrosoethyl)benzene
SMILESCC(N=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H7Cl2NO/c1-5(11-12)6-2-3-7(9)8(10)4-6/h2-5H,1H3
InChIKeyQRGMWACEOHDMSG-UHFFFAOYSA-N
XLogP3.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 3,4-dichloro-
CID 1608
D-103 (FDA NDC: 58264-0109)
CID 11957540
3,4-Dichloro-alpha-methylbenzeneethanamine
CID 17535
2,3-Dichloro-alpha-methylbenzylamine
CID 1215
Benzeneethanamine, 3,4-dichloro-alpha-methyl-, hydrochloride (1:1)
CID 201553
(S)-1-(2,3-Dichlorophenyl)ethan-1-amine
CID 6603802
1,2-Dichloro-4-(isocyanatomethyl)benzene
CID 2733368
(S)-1-(3,4-Dichlorophenyl)ethanamine
CID 793512
(R)-1-(3,4-dichlorophenyl)ethanamine
CID 793515
1-(3,4-dichlorophenyl)-N,N-dimethylmethanamine
CID 22174128
(S)-1-(2,3-dichlorophenyl)ethan-1-amine hydrochloride
CID 131841891
1-(3,4-Dichlorophenyl)-2-methylpropan-1-amine
CID 12559049

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(1-nitrosoethyl)benzene?
The IUPAC name of 1,2-dichloro-4-(1-nitrosoethyl)benzene (CID 54263206) is 1,2-dichloro-4-(1-nitrosoethyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(1-nitrosoethyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(1-nitrosoethyl)benzene is CC(N=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(1-nitrosoethyl)benzene?
The InChIKey is QRGMWACEOHDMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO/c1-5(11-12)6-2-3-7(9)8(10)4-6/h2-5H,1H3.
What are the key properties of 1,2-dichloro-4-(1-nitrosoethyl)benzene?
1,2-dichloro-4-(1-nitrosoethyl)benzene has a molecular weight of 204.06 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(1-nitrosoethyl)benzene is sourced from PubChem (CID 54263206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).