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Home > Nitro Compounds > 67323-06-2
67323-06-2 | 4'-METHOXY-2'-NITROACETOPHENONE
CAS No: 67323-06-2 Catalog No: AG00FB9K MDL No:
Product Description
Catalog Number:
AG00FB9K
Chemical Name:
4'-METHOXY-2'-NITROACETOPHENONE
CAS Number:
67323-06-2
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
1-(4-methoxy-2-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO4/c1-6(11)8-4-3-7(14-2)5-9(8)10(12)13/h3-5H,1-2H3
InChI Key:
IOPKQYZGKNCNAB-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])C(=O)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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