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88048-78-6

88048-78-6 | 3-Thiophenecarboxylic acid, 2-(bromomethyl)-, methyl ester

CAS No: 88048-78-6 Catalog No: AG004FP9 MDL No:MFCD14584483

Product Description

Catalog Number:
AG004FP9
Chemical Name:
3-Thiophenecarboxylic acid, 2-(bromomethyl)-, methyl ester
CAS Number:
88048-78-6
Molecular Formula:
C7H7BrO2S
Molecular Weight:
235.0983
MDL Number:
MFCD14584483
IUPAC Name:
methyl 2-(bromomethyl)thiophene-3-carboxylate
InChI:
InChI=1S/C7H7BrO2S/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4H2,1H3
InChI Key:
NLVXMLSUIYSGDS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccsc1CBr

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.935g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.095g/mol
Monoisotopic Mass:
233.935g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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