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145821-55-2 | 1H-Pyrrole-2-carboxylic acid, 3-bromo-
CAS No: 145821-55-2 Catalog No: AG001DFV MDL No:
Product Description
Catalog Number:
AG001DFV
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-bromo-
CAS Number:
145821-55-2
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
IUPAC Name:
3-bromo-1H-pyrrole-2-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2/c6-3-1-2-7-4(3)5(8)9/h1-2,7H,(H,8,9)
InChI Key:
GCGLHBLIXZLOAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]ccc1Br
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.996g/mol
Monoisotopic Mass:
188.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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