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41280-76-6 | 3-METHYLBENZO[B]THIOPHENE-2-CARBONYLCHLORIDE
CAS No: 41280-76-6 Catalog No: AG003JQN MDL No:MFCD12828147
Product Description
Catalog Number:
AG003JQN
Chemical Name:
3-METHYLBENZO[B]THIOPHENE-2-CARBONYLCHLORIDE
CAS Number:
41280-76-6
Molecular Formula:
C10H7ClOS
Molecular Weight:
210.6800
MDL Number:
MFCD12828147
IUPAC Name:
3-methyl-1-benzothiophene-2-carbonyl chloride
InChI:
InChI=1S/C10H7ClOS/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3
InChI Key:
ZZMQSRGDKWFBJT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1sc2c(c1C)cccc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.675g/mol
Monoisotopic Mass:
209.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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