CCOC(=O)c1ccc(O)c(Br)c1
CAS: 37470-58-9
名称: ethyl 3-bromo-4-hydroxybenzoate
SMILES: CCOC(=O)c1ccc(O)c(Br)c1

Molecular Processing

Molecular formula
C9H9BrO3
Molecular weight
245.07
Exact mass
243.9735
XLogP
2.33
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
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
0.222
Molar refractivity
51.76

Supplementary Information

InChIKey: CMXRBHNFKLKRFS-UHFFFAOYSA-N
同義語
ETHYL 3-BROMO-4-HYDROXYBENZOATE37470-58-9DTXSID80406526RefChem:343349DTXCID90357378692-064-7MFCD06204654Benzoic acid, 3-bromo-4-hydroxy-, ethyl ester3-bromo-4-hydroxybenzoic acid ethyl esterSCHEMBL2543424SCHEMBL30812164CMXRBHNFKLKRFS-UHFFFAOYSA-NSBB067771STL065740AKOS000319635ETHYL3-BROMO-4-HYDROXYBENZOATEAS-60508SY060932DB-069550CS-0037718ST45046867F325151
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