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1353975-78-6 | 2-Chloro-N-(4-methylsulfanyl-benzyl)-acetamide
CAS No: 1353975-78-6 Catalog No: AG01FA2J MDL No:
Product Description
Catalog Number:
AG01FA2J
Chemical Name:
2-Chloro-N-(4-methylsulfanyl-benzyl)-acetamide
CAS Number:
1353975-78-6
Molecular Formula:
C10H12ClNOS
Molecular Weight:
229.7264
IUPAC Name:
2-chloro-N-[(4-methylsulfanylphenyl)methyl]acetamide
InChI:
InChI=1S/C10H12ClNOS/c1-14-9-4-2-8(3-5-9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
InChI Key:
RZOCBCSWUPAFIE-UHFFFAOYSA-N
SMILES:
ClCC(=O)NCc1ccc(cc1)SC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.722g/mol
Monoisotopic Mass:
229.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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