4-Phenylpyrimidine-2-carboxylic Acid - CAS 74647-39-5

Catalog:	BB035125
Product Name:	4-Phenylpyrimidine-2-carboxylic Acid
CAS:	74647-39-5
Synonyms:	4-phenyl-2-pyrimidinecarboxylic acid; 4-phenylpyrimidine-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	4-phenylpyrimidine-2-carboxylic acid
Description:	4-Phenylpyrimidine-2-carboxylic Acid (CAS# 74647-39-5) is a useful research chemical.
Molecular Weight:	200.19
Molecular Formula:	C11H8N2O2
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=NC=C2)C(=O)O
InChI:	InChI=1S/C11H8N2O2/c14-11(15)10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
InChI Key:	OKGSNIRNGQVKJO-UHFFFAOYSA-N
LogP:	1.84180

Publication Number	Title	Priority Date
CN-112979559-A	2-phenyl pyrimidine formic acid derivative and preparation method and application thereof	20210308
WO-2019233862-A1	Herbicidally active substituted phenylpyrimidines	20180604
AU-2019283310-A1	Herbicidally active substituted phenylpyrimidines	20180604
CN-112513028-A	Substituted phenylpyrimidines with herbicidal activity	20180604
EP-3802516-A1	Herbicidally active substituted phenylpyrimidines	20180604

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.058577502
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7