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84963-04-2 | 5-[[[(4-SULFOPHENYL)AMINO]CARBONYL]AMINO]ANTHRANILIC ACID
CAS No: 84963-04-2 Catalog No: AG004R65 MDL No:
Product Description
Catalog Number:
AG004R65
Chemical Name:
5-[[[(4-SULFOPHENYL)AMINO]CARBONYL]AMINO]ANTHRANILIC ACID
CAS Number:
84963-04-2
Molecular Formula:
C14H13N3O6S
Molecular Weight:
351.3345
IUPAC Name:
2-amino-5-[(4-sulfophenyl)carbamoylamino]benzoic acid
InChI:
InChI=1S/C14H13N3O6S/c15-12-6-3-9(7-11(12)13(18)19)17-14(20)16-8-1-4-10(5-2-8)24(21,22)23/h1-7H,15H2,(H,18,19)(H2,16,17,20)(H,21,22,23)
InChI Key:
AYJSFXBARFQKLV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)C(=O)O)N)Nc1ccc(cc1)S(=O)(=O)O
EC Number:
284-805-4
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.053g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
351.333g/mol
Monoisotopic Mass:
351.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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