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139670-04-5 | 5-Thiazolecarboxylic acid, 2-bromo-4-chloro-
CAS No: 139670-04-5 Catalog No: AG001BGV MDL No:MFCD28041028
Product Description
Catalog Number:
AG001BGV
Chemical Name:
5-Thiazolecarboxylic acid, 2-bromo-4-chloro-
CAS Number:
139670-04-5
Molecular Formula:
C4HBrClNO2S
Molecular Weight:
242.4782
MDL Number:
MFCD28041028
IUPAC Name:
2-bromo-4-chloro-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4HBrClNO2S/c5-4-7-2(6)1(10-4)3(8)9/h(H,8,9)
InChI Key:
CMYDZKFYXFXGBZ-UHFFFAOYSA-N
SMILES:
Brc1nc(c(s1)C(=O)O)Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.86g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.471g/mol
Monoisotopic Mass:
240.86g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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