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Home > Nitro Compounds > 145370-32-7
145370-32-7 | Benzoic acid, 3-methoxy-4-nitro-, 2-acetylphenyl ester
CAS No: 145370-32-7 Catalog No: AG001KU5 MDL No:
Product Description
Catalog Number:
AG001KU5
Chemical Name:
Benzoic acid, 3-methoxy-4-nitro-, 2-acetylphenyl ester
CAS Number:
145370-32-7
Molecular Formula:
C16H13NO6
Molecular Weight:
315.2775
IUPAC Name:
(2-acetylphenyl) 3-methoxy-4-nitrobenzoate
InChI:
InChI=1S/C16H13NO6/c1-10(18)12-5-3-4-6-14(12)23-16(19)11-7-8-13(17(20)21)15(9-11)22-2/h3-9H,1-2H3
InChI Key:
GENZJPOSABKOLJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])C(=O)Oc1ccccc1C(=O)C
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.281g/mol
Monoisotopic Mass:
315.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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