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87382-61-4 | Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
CAS No: 87382-61-4 Catalog No: AG004K46 MDL No:
Product Description
Catalog Number:
AG004K46
Chemical Name:
Benzoic acid, 4-(acetylamino)-, 4-nitrophenyl ester
CAS Number:
87382-61-4
Molecular Formula:
C15H12N2O5
Molecular Weight:
300.2662
IUPAC Name:
(4-nitrophenyl) 4-acetamidobenzoate
InChI:
InChI=1S/C15H12N2O5/c1-10(18)16-12-4-2-11(3-5-12)15(19)22-14-8-6-13(7-9-14)17(20)21/h2-9H,1H3,(H,16,18)
InChI Key:
FUBCNHRFGSAIMG-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.27g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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