Home Carboxys Methyl 4-broMo-5-cyano-3-Methylthiophene-2-carboxylate

Methyl 4-broMo-5-cyano-3-Methylthiophene-2-carboxylate

CAS No.:
648412-55-9
Catalog Number:
AG00EJV2
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
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Product Description
Catalog Number:
AG00EJV2
Chemical Name:
Methyl 4-broMo-5-cyano-3-Methylthiophene-2-carboxylate
CAS Number:
648412-55-9
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
MDL Number:
MFCD19703224
IUPAC Name:
methyl 4-bromo-5-cyano-3-methylthiophene-2-carboxylate
InChI:
InChI=1S/C8H6BrNO2S/c1-4-6(9)5(3-10)13-7(4)8(11)12-2/h1-2H3
InChI Key:
XIGOSUBHDNBPFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1C)Br)C#N
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.105g/mol
Monoisotopic Mass:
258.93g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties