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6326-21-2 | N,2,5-trimethylbenzene-1-sulfonamide
CAS No: 6326-21-2 Catalog No: AG019OXB MDL No:MFCD04633476
Product Description
Catalog Number:
AG019OXB
Chemical Name:
N,2,5-trimethylbenzene-1-sulfonamide
CAS Number:
6326-21-2
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD04633476
IUPAC Name:
N,2,5-trimethylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-7-4-5-8(2)9(6-7)13(11,12)10-3/h4-6,10H,1-3H3
InChI Key:
UGJYHTWLUYDADV-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1cc(C)ccc1C
NSC Number:
31199
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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