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Home > Nitro Compounds > 77008-82-3
77008-82-3 | Benzoic acid, 2-(acetyloxy)-, 4-nitrophenyl ester
CAS No: 77008-82-3 Catalog No: AG005RME MDL No:
Product Description
Catalog Number:
AG005RME
Chemical Name:
Benzoic acid, 2-(acetyloxy)-, 4-nitrophenyl ester
CAS Number:
77008-82-3
Molecular Formula:
C15H11NO6
Molecular Weight:
301.2509
IUPAC Name:
(4-nitrophenyl) 2-acetyloxybenzoate
InChI:
InChI=1S/C15H11NO6/c1-10(17)21-14-5-3-2-4-13(14)15(18)22-12-8-6-11(7-9-12)16(19)20/h2-9H,1H3
InChI Key:
BJIYGDVIWZYKMG-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccccc1C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.059g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.254g/mol
Monoisotopic Mass:
301.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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