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88-56-2 | Benzenesulfonic acid,2-amino-5-chloro-4-ethyl-
CAS No: 88-56-2 Catalog No: AG004BZ3 MDL No:
Product Description
Catalog Number:
AG004BZ3
Chemical Name:
Benzenesulfonic acid,2-amino-5-chloro-4-ethyl-
CAS Number:
88-56-2
Molecular Formula:
C8H10ClNO3S
Molecular Weight:
235.6879
IUPAC Name:
2-amino-5-chloro-4-ethylbenzenesulfonic acid
InChI:
InChI=1S/C8H10ClNO3S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4H,2,10H2,1H3,(H,11,12,13)
InChI Key:
DJOIZOKQHNHZPN-UHFFFAOYSA-N
SMILES:
CCc1cc(N)c(cc1Cl)S(=O)(=O)O
EC Number:
201-840-2
UNII:
N9AQW8H17P
NSC Number:
81226
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.682g/mol
Monoisotopic Mass:
235.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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