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1823887-17-7 | 2-Thiophenecarboxylic acid, 3-(chloromethyl)-, ethyl ester
CAS No: 1823887-17-7 Catalog No: AG0023RR MDL No:
Product Description
Catalog Number:
AG0023RR
Chemical Name:
2-Thiophenecarboxylic acid, 3-(chloromethyl)-, ethyl ester
CAS Number:
1823887-17-7
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
IUPAC Name:
ethyl 3-(chloromethyl)thiophene-2-carboxylate
InChI:
InChI=1S/C8H9ClO2S/c1-2-11-8(10)7-6(5-9)3-4-12-7/h3-4H,2,5H2,1H3
InChI Key:
GISXRUSWUNSYQF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sccc1CCl
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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