Home Halogens methyl 3-bromo-4-chloro-5-methylbenzoate

methyl 3-bromo-4-chloro-5-methylbenzoate

CAS No.:
1160574-52-6
Catalog Number:
AG01B1AA
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
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Product Description
Catalog Number:
AG01B1AA
Chemical Name:
methyl 3-bromo-4-chloro-5-methylbenzoate
CAS Number:
1160574-52-6
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD11846081
IUPAC Name:
methyl 3-bromo-4-chloro-5-methylbenzoate
InChI:
InChI=1S/C9H8BrClO2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,1-2H3
InChI Key:
UQDVXCOKMBZFBT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)c(c(c1)Br)Cl
Properties
Complexity:
198  
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:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties