4-METHYLSULPHONAMINOBENZOICACID메틸에스테르

Methyl 4-methanesulfonamidobenzoate

HCID 669159CAS 50790-28-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIKey: QFDZXBAQIPTWSB-UHFFFAOYSA-N
분자식: C9H11NO4S
평균 분자량: 229.26 g/mol

이름 및 식별자

우선 이름: Methyl 4-methanesulfonamidobenzoate
IUPAC: methyl 4-(methanesulfonamido)benzoate
현지명: 4-METHYLSULPHONAMINOBENZOICACID메틸에스테르
영어명: 4-Methylsulphonaminobenzoic acid methyl ester
분자식: C9H11NO4S
분자량: 229.25

이름 및 동의어

methyl 4-methanesulfonamidobenzoate50790-28-8RefChem:816496830-831-1methyl 4-(methanesulfonamido)benzoatemethyl 4-[(methylsulfonyl)amino]benzoate4-METHYLSULPHONAMINOBENZOIC ACID METHYL ESTEROprea1_175617Oprea1_498916SCHEMBL638334-[(Methylsulfonyl)amino]benzoic acid methyl estermethyl4-methanesulfonamidobenzoate

이름 더 보기

4-METHYLSULPHONAMINOBENZOICACID메틸에스테르AURORA 2945methyl 4-(methylsulfonamido)benzoate4-mesyl-amino-benz-oic acid methyl ester4-Methanesulfonylamino-benzoic acid methyl esterBenzoic acid, 4-[(methylsulfonyl)amino]-, methyl ester

QFDZXBAQIPTWSB-UHFFFAOYSA-NHMS1609I07ACA79028MFCD00590400STK030880AKOS001613635SB77205BS-28675

데이터베이스 식별자

CAS: 50790-28-8
PubChem CID: 669159
EC Number: 830-831-1
Nikkaji: J1.711.925G

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 80.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 311

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.