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Home > Bromides > 1138444-37-7
1138444-37-7 | 5-Thiazolecarboxylic acid, 4-(bromomethyl)-2-(2-pyridinyl)-, ethyl ester
CAS No: 1138444-37-7 Catalog No: AG0009VH MDL No:MFCD11869291
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
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