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Home > Nitro Compounds > 7531-38-6
7531-38-6 | 2-Benzoyl-6-nitrobenzoic acid methyl ester
CAS No: 7531-38-6 Catalog No: AG00GCIW MDL No:
Product Description
Catalog Number:
AG00GCIW
Chemical Name:
2-Benzoyl-6-nitrobenzoic acid methyl ester
CAS Number:
7531-38-6
IUPAC Name:
methyl 2-benzoyl-6-nitrobenzoate
InChI:
InChI=1S/C15H11NO5/c1-21-15(18)13-11(8-5-9-12(13)16(19)20)14(17)10-6-3-2-4-7-10/h2-9H,1H3
InChI Key:
ZOMATYOPKSNYRN-UHFFFAOYSA-N
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.255g/mol
Monoisotopic Mass:
285.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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