CAS 84660-25-3 2-(4-Chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid (HCID 135878882)

기본 정보

CAS: 84660-25-3
표준 SMILES: O=C(O)c1cc(=O)[nH]c(-c2ccc(Cl)cc2)n1
InChIKey: CKGHKABQBNRCMM-UHFFFAOYSA-N
분자식: C11H7ClN2O3
평균 분자량: 250.64 g/mol
단동위원소 질량: 250.01451976

이름 및 식별자

우선 이름: 2-(4-Chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acid
IUPAC: 2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
영어명: 2-(4-Chloro-phenyl)-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid
분자량: 0

이름 및 동의어

2-(4-chlorophenyl)-6-hydroxypyrimidine-4-carboxylic acidRefChem:457402895-803-384660-25-32-(4-chlorophenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid2-(4-CHLORO-PHENYL)-6-OXO-1,6-DIHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID2-(4-CHLOROPHENYL)-6-OXO-1H-PYRIMIDINE-4-CARBOXYLIC ACIDstarbld0022415SCHEMBL1535649DTXSID50516545CKGHKABQBNRCMM-UHFFFAOYSA-NJDA66025

이름 더 보기

2-(4-chlorophenyl)-1,6-dihydro-6-oxo-4-pyrimidinecarboxylic acidAKOS015917742AKOS015938257EN300-6479536Z20770147402-(4-Chloro-phenyl)-6-hydroxy-pyrimidine-4-carboxylic acid2-(4-Chlorophenyl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid

데이터베이스 식별자

CAS: 84660-25-3
PubChem CID: 135878882
DTXSID: DTXSID50516545
EC Number: 895-803-3

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 78.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 409

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.