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120100-50-7 | Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester
CAS No: 120100-50-7 Catalog No: AG000QBJ MDL No:MFCD28148171
Product Description
Catalog Number:
AG000QBJ
Chemical Name:
Benzoic acid, 3-(bromomethyl)-2,4-dichloro-, methyl ester
CAS Number:
120100-50-7
Molecular Formula:
C9H7BrCl2O2
Molecular Weight:
297.9607
MDL Number:
MFCD28148171
IUPAC Name:
methyl 3-(bromomethyl)-2,4-dichlorobenzoate
InChI:
InChI=1S/C9H7BrCl2O2/c1-14-9(13)5-2-3-7(11)6(4-10)8(5)12/h2-3H,4H2,1H3
InChI Key:
DSYBYAOEKDFWGJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1Cl)CBr)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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