COC(=O)C1=C(C(=CC=C1)N)Br
CAS: 106896-48-4
이름: methyl 3-amino-2-bromobenzoate
SMILES: COC(=O)C1=C(C(=CC=C1)N)Br

Molecular Processing

Molecular formula
C8H8BrNO2
Molecular weight
230.06
Exact mass
228.9738
XLogP
1.82
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.89

Supplementary Information

InChIKey: NIXWZYZFLFEHMB-UHFFFAOYSA-N
동의어
methyl 3-amino-2-bromobenzoate106896-48-4DTXSID80544174RefChem:354801DTXCID90494959685-677-63-Amino-2-bromo-benzoic acid methyl esterMFCD03844437Benzoic acid, 3-amino-2-bromo-, methyl esterMethyl3-amino-2-bromobenzoatemethyl 2-bromo-3-aminobenzoateSCHEMBL5210612methyl 3-amino-2-bromo-benzoateNIXWZYZFLFEHMB-UHFFFAOYSA-NGEA89648CL9216AKOS015855271CS-W006317MB03033Methyl 3-amino-2-bromobenzoate, 95%DS-12046SY018995DB-006322EN300-179030F214701Z1269159125
출처 보기 →
31개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→