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128-55-2 | Benzenesulfonic acid, 2,6-diamino-4-methyl-
CAS No: 128-55-2 Catalog No: AG000XNV MDL No:
Product Description
Catalog Number:
AG000XNV
Chemical Name:
Benzenesulfonic acid, 2,6-diamino-4-methyl-
CAS Number:
128-55-2
Molecular Formula:
C7H10N2O3S
Molecular Weight:
202.2309
IUPAC Name:
2,6-diamino-4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H10N2O3S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)
InChI Key:
MNAWGAORJBFMTQ-UHFFFAOYSA-N
SMILES:
Nc1cc(C)cc(c1S(=O)(=O)O)N
NSC Number:
7836
Properties
Complexity:
260
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:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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