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Home > Bromides > 1194374-25-8
1194374-25-8 | 4-Thiazolecarboxylic acid, 2-bromo-5-methyl-
CAS No: 1194374-25-8 Catalog No: AG000IRF MDL No:MFCD12404925
Product Description
Catalog Number:
AG000IRF
Chemical Name:
4-Thiazolecarboxylic acid, 2-bromo-5-methyl-
CAS Number:
1194374-25-8
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
MDL Number:
MFCD12404925
IUPAC Name:
2-bromo-5-methyl-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2S/c1-2-3(4(8)9)7-5(6)10-2/h1H3,(H,8,9)
InChI Key:
XSZIUHFDUUSYKH-UHFFFAOYSA-N
SMILES:
Brc1sc(c(n1)C(=O)O)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.915g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.056g/mol
Monoisotopic Mass:
220.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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