O-(4-nitrobenzyl)hydroxylamine

HCID 74968

기본 정보

표준 SMILES: NOCc1ccc([N+](=O)[O-])cc1
InChIKey: OJYSJFUYARGLPG-UHFFFAOYSA-N
분자식: C7H8N2O3
평균 분자량: 168.15 g/mol

이름 및 식별자

우선 이름: O-(4-nitrobenzyl)hydroxylamine
IUPAC: O-[(4-nitrophenyl)methyl]hydroxylamine

이름 및 동의어

O-(4-nitrobenzyl)hydroxylamine1944-96-3Hydroxylamine, O-[(4-nitrophenyl)methyl]-MFCD06654546CHEMBL3765123O-[(4-nitrophenyl)methyl]hydroxylamineBDBM50146446NCIOpen2_004526o-(p-Nitrobenzyl)hydroxylaminep-nitrobenzyloxyamineSCHEMBL439093SCHEMBL7769668

이름 더 보기

SCHEMBL7829129[(4-nitrophenyl)methyl]oxyamineCHEMBL1213008AKOS0062281011-[(Aminooxy)methyl]-4-nitrobenzene #AS-92840SY281895ST50406460

데이터베이스 식별자

PubChem CID: 74968
ChEMBL: CHEMBL1213008、CHEMBL3765123
Nikkaji: J231.920I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 81.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

관련 반응

15건

반응 기록 만들기

HRID 146097반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 146100반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 182119반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 686361반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 702373반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 825074반응물로Test data from https://doi.org/10.1039/C8SC04228D

HRID 959634반응물로Validation data from https://doi.org/10.1039/C8SC04228D

HRID 1124977반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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