Home Carboxys 2-(4-Bromo-benzyl)-thiazole-4-carboxylic acid methyl ester

2-(4-Bromo-benzyl)-thiazole-4-carboxylic acid methyl ester

CAS No.:
885279-50-5
Catalog Number:
AG00459C
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 96% (HPLC)
1 week
United States
$190
- +
1g
≥ 96% (HPLC)
1 week
United States
$341
- +
5g
≥ 96% (HPLC)
1 week
United States
$1325
- +
Product Description
Catalog Number:
AG00459C
Chemical Name:
2-(4-Bromo-benzyl)-thiazole-4-carboxylic acid methyl ester
CAS Number:
885279-50-5
Molecular Formula:
C12H10BrNO2S
Molecular Weight:
312.1823
MDL Number:
MFCD06738474
IUPAC Name:
methyl 2-[(4-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C12H10BrNO2S/c1-16-12(15)10-7-17-11(14-10)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChI Key:
PVXRPIIADRQZNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(n1)Cc1ccc(cc1)Br
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.962g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.181g/mol
Monoisotopic Mass:
310.962g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties