COC(=O)C1=CC=CC=C1CBr
CAS: 2417-73-4
Name: methyl 2-(bromomethyl)benzoate
SMILES: COC(=O)C1=CC=CC=C1CBr

Molecular Processing

Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.37
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
50.41

Supplementary Information

InChIKey: QKASDIPENBEWBU-UHFFFAOYSA-N
Synonyme
methyl 2-(bromomethyl)benzoateRefChem:813650815-005-0Methyl 2-bromomethylbenzoate2417-73-42-BROMOMETHYLBENZOIC ACID METHYL ESTERBenzoic acid, 2-(bromomethyl)-, methyl esterMFCD034259002-(Bromomethyl)-benzoic acid methyl esterMethyl (2-bromomethyl)benzoateMethyl 2-bromomethyl benzoate2-(bromomethyl)benzoic acid methyl esterMethyl2-bromomethylbenzoate2-Bromomethyl-benzoic acid methyl estermethyl-2-(bromomethyl)benzoatemethyl-alpha-bromotoluatemethyl o-bromomethylbenzoateMethyl-2-bromomethylbenzoatemethyl alpha-bromo-o-toluatemethyl 2-bromomethyl-benzoateMethyl alpha-bromo-2-toluateo-methoxycarbonylbenzyl bromideSCHEMBL1047032-(Carbomethoxy)benzyl bromideSCHEMBL8438733methyl 2-(bromomethyl)-benzoateSCHEMBL30945155DTXSID20370515QKASDIPENBEWBU-UHFFFAOYSA-NALBB-018007
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