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16220-99-8 | Benzoic acid, 5-(bromomethyl)-2-chloro-, methyl ester
CAS No: 16220-99-8 Catalog No: AG001SVN MDL No:MFCD20483458
Product Description
Catalog Number:
AG001SVN
Chemical Name:
Benzoic acid, 5-(bromomethyl)-2-chloro-, methyl ester
CAS Number:
16220-99-8
Molecular Formula:
C9H8BrClO2
Molecular Weight:
263.5156
MDL Number:
MFCD20483458
IUPAC Name:
methyl 5-(bromomethyl)-2-chlorobenzoate
InChI:
InChI=1S/C9H8BrClO2/c1-13-9(12)7-4-6(5-10)2-3-8(7)11/h2-4H,5H2,1H3
InChI Key:
CATAJHNFXWLJRA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CBr)ccc1Cl
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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