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13290-74-9 | Benzene, 1-chloro-2-methyl-4-nitro-
CAS No: 13290-74-9 Catalog No: AG0011CR MDL No:MFCD00041430
Product Description
Catalog Number:
AG0011CR
Chemical Name:
Benzene, 1-chloro-2-methyl-4-nitro-
CAS Number:
13290-74-9
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD00041430
IUPAC Name:
1-chloro-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChI Key:
BGDCQZFFNFXYQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C)Cl
EC Number:
236-306-8
Properties
Complexity:
157
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:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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