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Home Halogens 5-Thiazolecarboxylic acid, 4-(bromomethyl)-2-(2-pyridinyl)-, ethyl ester

5-Thiazolecarboxylic acid, 4-(bromomethyl)-2-(2-pyridinyl)-, ethyl ester

CAS No.:
1138444-37-7
Catalog Number:
AG0009VH
Molecular Formula:
C12H11BrN2O2S
Molecular Weight:
327.1969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥95%
1 week
United States
$72
- +
1g
97%
1 week
United States
$88
- +
Product Description
Catalog Number:
AG0009VH
Chemical Name:
5-Thiazolecarboxylic acid, 4-(bromomethyl)-2-(2-pyridinyl)-, ethyl ester
CAS Number:
1138444-37-7
Molecular Formula:
C12H11BrN2O2S
Molecular Weight:
327.1969
MDL Number:
MFCD11869291
IUPAC Name:
ethyl 4-(bromomethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H11BrN2O2S/c1-2-17-12(16)10-9(7-13)15-11(18-10)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3
InChI Key:
RNJKUHUGSBTCRJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1CBr)c1ccccn1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.972g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.196g/mol
Monoisotopic Mass:
325.972g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties