CAS: 2905-65-9
名称: methyl 3-chlorobenzoate
SMILES:
COC(=O)C1=CC(=CC=C1)ClMolecular Processing
Molecular formula
C8H7ClO2
Molecular weight
170.59
Exact mass
170.0135
XLogP
2.13
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
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
0.125
Molar refractivity
42.79
Supplementary Information
InChIKey: XRDRKVPNHIWTBX-UHFFFAOYSA-N
同義語
METHYL 3-CHLOROBENZOATEMethyl m-chlorobenzoateBenzoic acid, 3-chloro-, methyl esterm-Chlorobenzoic acid methyl esterBenzoic acid, m-chloro-, methyl esterDTXSID6027507HSDB 54653-CHLOROBENZOIC ACID METHYL ESTEREINECS 220-814-1UNII-9M3K1L01499M3K1L01493-Cl-C6H4-COOCH3DTXCID5075073-(METHOXYCARBONYL)PHENYL CHLORIDEMethyl mchlorobenzoateRefChem:157467mChlorobenzoic acid methyl esterBenzoic acid, mchloro, methyl esterBenzoic acid, 3chloro, methyl ester220-814-1InChI=1/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1HXRDRKVPNHIWTBX-UHFFFAOYSA-N2905-65-93-Chloro-benzoic acid methyl esterMFCD00000592METHYL-3-CHLOROBENZOATEMethyl-m-chlorobenzoateSCHEMBL642345SCHEMBL871977Methyl 3-chlorobenzoate, 98%
20 件の反応に参加→