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123848-64-6 | Benzenesulfonic acid, 4-amino-2-(methylamino)-
CAS No: 123848-64-6 Catalog No: AG000L6S MDL No:
Product Description
Catalog Number:
AG000L6S
Chemical Name:
Benzenesulfonic acid, 4-amino-2-(methylamino)-
CAS Number:
123848-64-6
Molecular Formula:
C7H10N2O3S
Molecular Weight:
202.2309
IUPAC Name:
2-amino-4-(methylamino)benzenesulfonic acid
InChI:
InChI=1S/C7H10N2O3S/c1-9-5-2-3-7(6(8)4-5)13(10,11)12/h2-4,9H,8H2,1H3,(H,10,11,12)
InChI Key:
UNNDLMGRNQEHSU-UHFFFAOYSA-N
SMILES:
CNc1cc(N)ccc1S(=O)(=O)O
EC Number:
602-958-0
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
202.228g/mol
Monoisotopic Mass:
202.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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