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849035-63-8 | 2,4-Dimethyl-5-(methylsulfonyl)aniline
CAS No: 849035-63-8 Catalog No: AG004Q1M MDL No:MFCD04037922
Product Description
Catalog Number:
AG004Q1M
Chemical Name:
2,4-Dimethyl-5-(methylsulfonyl)aniline
CAS Number:
849035-63-8
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD04037922
IUPAC Name:
2,4-dimethyl-5-methylsulfonylaniline
InChI:
InChI=1S/C9H13NO2S/c1-6-4-7(2)9(5-8(6)10)13(3,11)12/h4-5H,10H2,1-3H3
InChI Key:
RPXUEHXANDRWAI-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1S(=O)(=O)C)N
Properties
Complexity:
268
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:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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