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145303-71-5 | Benzoic acid, 2-(bromomethyl)-4,5-dichloro-, methyl ester
CAS No: 145303-71-5 Catalog No: AG001KS9 MDL No:
Product Description
Catalog Number:
AG001KS9
Chemical Name:
Benzoic acid, 2-(bromomethyl)-4,5-dichloro-, methyl ester
CAS Number:
145303-71-5
Molecular Formula:
C9H7BrCl2O2
Molecular Weight:
297.9607
IUPAC Name:
methyl 2-(bromomethyl)-4,5-dichlorobenzoate
InChI:
InChI=1S/C9H7BrCl2O2/c1-14-9(13)6-3-8(12)7(11)2-5(6)4-10/h2-3H,4H2,1H3
InChI Key:
UFXRTDAXRFGWOH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(cc1CBr)Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.901g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.957g/mol
Monoisotopic Mass:
295.901g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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