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Home > Nitro Compounds > 577-59-3
577-59-3 | 1-(2-Nitrophenyl);ethanone
CAS No: 577-59-3 Catalog No: AG003GA5 MDL No:MFCD00007144
Product Description
Catalog Number:
AG003GA5
Chemical Name:
1-(2-Nitrophenyl);ethanone
CAS Number:
577-59-3
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00007144
IUPAC Name:
1-(2-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
InChI Key:
SUGXZLKUDLDTKX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C(=O)C
EC Number:
209-414-8
UNII:
52L53K4X3O
NSC Number:
3641
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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