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Home > Nitro Compounds > 622-42-4
622-42-4 | (Nitromethyl)benzene
CAS No: 622-42-4 Catalog No: AG019DDR MDL No:MFCD00053440
Product Description
Catalog Number:
AG019DDR
Chemical Name:
(Nitromethyl)benzene
CAS Number:
622-42-4
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD00053440
IUPAC Name:
nitromethylbenzene
InChI:
InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
VLZLOWPYUQHHCG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)Cc1ccccc1
NSC Number:
3439
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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