3-bromo-1H-pyrrole-2-carboxylic acid - CAS 145821-55-2

Catalog:	BB010011
Product Name:	3-bromo-1H-pyrrole-2-carboxylic acid
CAS:	145821-55-2
Synonyms:	3-bromo-1H-pyrrole-2-carboxylic acid; 3-bromo-1H-pyrrole-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-bromo-1H-pyrrole-2-carboxylic acid
Description:	3-bromo-1H-pyrrole-2-carboxylic acid (CAS# 145821-55-2 ) is a useful research chemical.
Molecular Weight:	189.996
Molecular Formula:	C5H4BrNO2
Canonical SMILES:	C1=CNC(=C1Br)C(=O)O
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
LogP:	0.00000

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Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.94254
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.94254
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3