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89499-42-3 | 4-Amino-5-bromo-2-thiophenecarboxylic acid
CAS No: 89499-42-3 Catalog No: AG0041W7 MDL No:MFCD01627989
Product Description
Catalog Number:
AG0041W7
Chemical Name:
4-Amino-5-bromo-2-thiophenecarboxylic acid
CAS Number:
89499-42-3
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
MDL Number:
MFCD01627989
IUPAC Name:
4-amino-5-bromothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,7H2,(H,8,9)
InChI Key:
YYJRQBYVIMZIIX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(s1)Br)N
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:
2
Isotope Atom Count:
0
Molecular Weight:
222.056g/mol
Monoisotopic Mass:
220.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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