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1427424-00-7 | Methyl 4-bromo-5-chloro-2-methylbenzoate
CAS No: 1427424-00-7 Catalog No: AG01FC0H MDL No:MFCD23707506
Product Description
Catalog Number:
AG01FC0H
Chemical Name:
Methyl 4-bromo-5-chloro-2-methylbenzoate
CAS Number:
1427424-00-7
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD23707506
IUPAC Name:
methyl 4-bromo-5-chloro-2-methylbenzoate
InChI:
InChI=1S/C9H8BrClO2/c1-5-3-7(10)8(11)4-6(5)9(12)13-2/h3-4H,1-2H3
InChI Key:
ONVFLPULKYBQAO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1C)Br
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
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