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203573-07-3 | Benzoic acid, 3-bromo-5-chloro-4-methyl-, methyl ester
CAS No: 203573-07-3 Catalog No: AG0028ZC MDL No:MFCD11557543
Product Description
Catalog Number:
AG0028ZC
Chemical Name:
Benzoic acid, 3-bromo-5-chloro-4-methyl-, methyl ester
CAS Number:
203573-07-3
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD11557543
IUPAC Name:
methyl 3-bromo-5-chloro-4-methylbenzoate
InChI:
InChI=1S/C9H8BrClO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3
InChI Key:
RJBFECHQHQLAFJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)Br)C
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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