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137-65-5 | Benzoic acid, 2-amino-5-(aminosulfonyl)-
CAS No: 137-65-5 Catalog No: AG0012P4 MDL No:MFCD00036104
Product Description
Catalog Number:
AG0012P4
Chemical Name:
Benzoic acid, 2-amino-5-(aminosulfonyl)-
CAS Number:
137-65-5
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD00036104
IUPAC Name:
2-amino-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H8N2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)(H2,9,12,13)
InChI Key:
JRGAUAWPCLQHTF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1N)S(=O)(=O)N
EC Number:
205-304-9
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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