Home Other Building Blocks 6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

CAS No.:
550998-52-2
Catalog Number:
AG00DVYN
Molecular Formula:
C10H7FO2S
Molecular Weight:
210.2248
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Product Description
Catalog Number:
AG00DVYN
Chemical Name:
6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
CAS Number:
550998-52-2
Molecular Formula:
C10H7FO2S
Molecular Weight:
210.2248
MDL Number:
MFCD11044557
IUPAC Name:
methyl 6-fluoro-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H7FO2S/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChI Key:
SQPXPMLXQVWORI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)cc(cc2)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.222g/mol
Monoisotopic Mass:
210.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties