CAS: 1128-76-3
이름: ethyl 3-chlorobenzoate
SMILES:
CCOC(=O)C1=CC(=CC=C1)ClMolecular Processing
Molecular formula
C9H9ClO2
Molecular weight
184.62
Exact mass
184.0291
XLogP
2.52
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.41
Supplementary Information
InChIKey: LVFRSNCBCHABAM-UHFFFAOYSA-N
동의어
Ethyl 3-chlorobenzoateBenzoic acid, 3-chloro-, ethyl esterEthyl m-chlorobenzoateBenzoic acid, m-chloro-, ethyl esterAI3-11590EINECS 214-441-3DTXSID101501813-Chlorobenzoic acid, ethyl esterNSC 67339RefChem:138686DTXCID7072672214-441-3LVFRSNCBCHABAM-UHFFFAOYSA-N1128-76-33-Chlorobenzoic Acid Ethyl EsterMFCD000136343-chloro-benzoic acid ethyl esterSCHEMBL197307SCHEMBL971745SCHEMBL9181001SCHEMBL11839343SCHEMBL29443099NSC67339Benzoic acid,3-chloro-, ethyl esterNSC-67339SBB064614AKOS004911137CS-W001093DS-15798SY021823
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