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Home > Nitro Compounds > 28638-59-7
28638-59-7 | 1-methyl-2-(2-nitroethenyl)benzene
CAS No: 28638-59-7 Catalog No: AG019XO6 MDL No:MFCD09743614
Product Description
Catalog Number:
AG019XO6
Chemical Name:
1-methyl-2-(2-nitroethenyl)benzene
CAS Number:
28638-59-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD09743614
IUPAC Name:
1-methyl-2-(2-nitroethenyl)benzene
InChI:
InChI=1S/C9H9NO2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-7H,1H3
InChI Key:
HOATZZMHBCWHOJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1ccccc1C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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