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1566-82-1 | Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-
CAS No: 1566-82-1 Catalog No: AG001OUU MDL No:
Product Description
Catalog Number:
AG001OUU
Chemical Name:
Benzoic acid, 2-[[[(4-nitrophenyl)amino]carbonyl]amino]-
CAS Number:
1566-82-1
Molecular Formula:
C14H11N3O5
Molecular Weight:
301.2542
IUPAC Name:
2-[(4-nitrophenyl)carbamoylamino]benzoic acid
InChI:
InChI=1S/C14H11N3O5/c18-13(19)11-3-1-2-4-12(11)16-14(20)15-9-5-7-10(8-6-9)17(21)22/h1-8H,(H,18,19)(H2,15,16,20)
InChI Key:
DMUIQBFHSGYVGR-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1C(=O)O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
429
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:
3
Isotope Atom Count:
0
Molecular Weight:
301.258g/mol
Monoisotopic Mass:
301.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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