2-Amino-4-(1-pyrazolyl)benzoic Acid - CAS 1186663-55-7

Catalog:	BB004220
Product Name:	2-Amino-4-(1-pyrazolyl)benzoic Acid
CAS:	1186663-55-7
Synonyms:	2-amino-4-(1-pyrazolyl)benzoic acid; 2-amino-4-pyrazol-1-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-amino-4-pyrazol-1-ylbenzoic acid
Description:	2-Amino-4-(1-pyrazolyl)benzoic Acid (CAS# 1186663-55-7) is a useful research chemical.
Molecular Weight:	203.20
Molecular Formula:	C10H9N3O2
Canonical SMILES:	C1=CN(N=C1)C2=CC(=C(C=C2)C(=O)O)N
InChI:	InChI=1S/C10H9N3O2/c11-9-6-7(13-5-1-4-12-13)2-3-8(9)10(14)15/h1-6H,11H2,(H,14,15)
InChI Key:	MCADMJGMKMNLIE-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.73390

Publication Number	Title	Priority Date
KR-20110110286-A	N-acyl anthranilic acid derivatives or salts thereof	20090130
US-2011275797-A1	N-acyl anthranilic acid derivative or salt thereof	20090130
US-8492582-B2	N-acyl anthranilic acid derivative or salt thereof	20090130
WO-2010087430-A1	N-acyl anthranilic acid derivative or salt thereof	20090130

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Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.069476538
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.069476538
Rotatable Bond Count:	2
Topological Polar Surface Area:	81.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3