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138786-65-9 | Benzoic acid, 2-(bromomethyl)-5-fluoro-, methyl ester
CAS No: 138786-65-9 Catalog No: AG0019K3 MDL No:MFCD04114323
Product Description
Catalog Number:
AG0019K3
Chemical Name:
Benzoic acid, 2-(bromomethyl)-5-fluoro-, methyl ester
CAS Number:
138786-65-9
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD04114323
IUPAC Name:
methyl 2-(bromomethyl)-5-fluorobenzoate
InChI:
InChI=1S/C9H8BrFO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
InChI Key:
MWSNENBHAODEGV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)ccc1CBr
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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