Home Halogens Benzoic acid,3-(bromomethyl)-4-chloro-, methyl ester

Benzoic acid,3-(bromomethyl)-4-chloro-, methyl ester

CAS No.:
220464-68-6
Catalog Number:
AG007PZI
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
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Product Description
Catalog Number:
AG007PZI
Chemical Name:
Benzoic acid,3-(bromomethyl)-4-chloro-, methyl ester
CAS Number:
220464-68-6
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD16036858
IUPAC Name:
methyl 3-(bromomethyl)-4-chlorobenzoate
InChI:
InChI=1S/C9H8BrClO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI Key:
OXXGTEJKZZKAJV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CBr)Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.94g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.515g/mol
Monoisotopic Mass:
261.94g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties