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1263283-69-7 | Benzoic acid, 4-(chloromethyl)-3,5-difluoro-, methyl ester
CAS No: 1263283-69-7 Catalog No: AG000SMP MDL No:MFCD17676601
Product Description
Catalog Number:
AG000SMP
Chemical Name:
Benzoic acid, 4-(chloromethyl)-3,5-difluoro-, methyl ester
CAS Number:
1263283-69-7
Molecular Formula:
C9H7ClF2O2
Molecular Weight:
220.6005
MDL Number:
MFCD17676601
IUPAC Name:
methyl 4-(chloromethyl)-3,5-difluorobenzoate
InChI:
InChI=1S/C9H7ClF2O2/c1-14-9(13)5-2-7(11)6(4-10)8(12)3-5/h2-3H,4H2,1H3
InChI Key:
RWNXTXQXCJVRLY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)F)CCl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.6g/mol
Monoisotopic Mass:
220.01g/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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