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Home > Bromides > 1244949-48-1
1244949-48-1 | 5-Thiazolecarboxylic acid, 4-bromo-
CAS No: 1244949-48-1 Catalog No: AG000M3E MDL No:MFCD11111596
Product Description
Catalog Number:
AG000M3E
Chemical Name:
5-Thiazolecarboxylic acid, 4-bromo-
CAS Number:
1244949-48-1
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
MDL Number:
MFCD11111596
IUPAC Name:
4-bromo-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4H2BrNO2S/c5-3-2(4(7)8)9-1-6-3/h1H,(H,7,8)
InChI Key:
GQCIIZJOGXFYNG-UHFFFAOYSA-N
SMILES:
OC(=O)c1scnc1Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.899g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.029g/mol
Monoisotopic Mass:
206.899g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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