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1706462-04-5 | 5-(Benzo[d]thiazol-2-yl)thiophene-2-carbonyl chloride
CAS No: 1706462-04-5 Catalog No: AG01AS1S MDL No:MFCD26940510
Product Description
Catalog Number:
AG01AS1S
Chemical Name:
5-(Benzo[d]thiazol-2-yl)thiophene-2-carbonyl chloride
CAS Number:
1706462-04-5
Molecular Formula:
C12H6ClNOS2
Molecular Weight:
279.7651
MDL Number:
MFCD26940510
IUPAC Name:
5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl chloride
InChI:
InChI=1S/C12H6ClNOS2/c13-11(15)9-5-6-10(16-9)12-14-7-3-1-2-4-8(7)17-12/h1-6H
InChI Key:
BXPUMJLXVQEVDK-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(s1)c1nc2c(s1)cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.958g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.756g/mol
Monoisotopic Mass:
278.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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