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29559-24-8 | Benzene, 1-chloro-4-(nitromethyl)-
CAS No: 29559-24-8 Catalog No: AG002YR7 MDL No:
Product Description
Catalog Number:
AG002YR7
Chemical Name:
Benzene, 1-chloro-4-(nitromethyl)-
CAS Number:
29559-24-8
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
IUPAC Name:
1-chloro-4-(nitromethyl)benzene
InChI:
InChI=1S/C7H6ClNO2/c8-7-3-1-6(2-4-7)5-9(10)11/h1-4H,5H2
InChI Key:
KNOZMCIHCIMLDY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C[N+](=O)[O-]
NSC Number:
71932
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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