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88105-17-3 | Methyl 3-chlorothiophene-2-carboxylate
CAS No: 88105-17-3 Catalog No: AG003RRY MDL No:MFCD00068135
Product Description
Catalog Number:
AG003RRY
Chemical Name:
Methyl 3-chlorothiophene-2-carboxylate
CAS Number:
88105-17-3
Molecular Formula:
C6H5ClO2S
Molecular Weight:
176.6207
MDL Number:
MFCD00068135
IUPAC Name:
methyl 3-chlorothiophene-2-carboxylate
InChI:
InChI=1S/C6H5ClO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key:
ZWKYYONTMGVPSP-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.614g/mol
Monoisotopic Mass:
175.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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