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81569-64-4 | 2-Bromo-4-propylthiazole-5-carboxylic acid
CAS No: 81569-64-4 Catalog No: AG0051M8 MDL No:MFCD11977629
Product Description
Catalog Number:
AG0051M8
Chemical Name:
2-Bromo-4-propylthiazole-5-carboxylic acid
CAS Number:
81569-64-4
Molecular Formula:
C7H8BrNO2S
Molecular Weight:
250.1129
MDL Number:
MFCD11977629
IUPAC Name:
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C7H8BrNO2S/c1-2-3-4-5(6(10)11)12-7(8)9-4/h2-3H2,1H3,(H,10,11)
InChI Key:
CWHXBYKCDWDCKL-UHFFFAOYSA-N
SMILES:
CCCc1nc(sc1C(=O)O)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.946g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.11g/mol
Monoisotopic Mass:
248.946g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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