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89232-27-9 | Benzoic acid, 4-[(aminocarbonyl)amino]-, 4-nitrophenyl ester
CAS No: 89232-27-9 Catalog No: AG0043DP MDL No:
Product Description
Catalog Number:
AG0043DP
Chemical Name:
Benzoic acid, 4-[(aminocarbonyl)amino]-, 4-nitrophenyl ester
CAS Number:
89232-27-9
Molecular Formula:
C14H11N3O5
Molecular Weight:
301.2542
IUPAC Name:
(4-nitrophenyl) 4-(carbamoylamino)benzoate
InChI:
InChI=1S/C14H11N3O5/c15-14(19)16-10-3-1-9(2-4-10)13(18)22-12-7-5-11(6-8-12)17(20)21/h1-8H,(H3,15,16,19)
InChI Key:
ZCQYWWBCOJUSSR-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.07g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.258g/mol
Monoisotopic Mass:
301.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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