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138872-44-3 | 2-Thiophenesulfonyl chloride, 5-[(benzoylamino)methyl]-
CAS No: 138872-44-3 Catalog No: AG0019QK MDL No:MFCD00052130
Product Description
Catalog Number:
AG0019QK
Chemical Name:
2-Thiophenesulfonyl chloride, 5-[(benzoylamino)methyl]-
CAS Number:
138872-44-3
Molecular Formula:
C12H10ClNO3S2
Molecular Weight:
315.7957
MDL Number:
MFCD00052130
IUPAC Name:
5-(benzamidomethyl)thiophene-2-sulfonyl chloride
InChI:
InChI=1S/C12H10ClNO3S2/c13-19(16,17)11-7-6-10(18-11)8-14-12(15)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChI Key:
VGSWVDWOXYTAPG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NCc1ccc(s1)S(=O)(=O)Cl
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.979g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.786g/mol
Monoisotopic Mass:
314.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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