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13671-00-6 | Benzoic acid, 2,6-difluoro-, methyl ester
CAS No: 13671-00-6 Catalog No: AG00129O MDL No:MFCD00051778
Product Description
Catalog Number:
AG00129O
Chemical Name:
Benzoic acid, 2,6-difluoro-, methyl ester
CAS Number:
13671-00-6
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00051778
IUPAC Name:
methyl 2,6-difluorobenzoate
InChI:
InChI=1S/C8H6F2O2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key:
QNPFLTKQLFSKBY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)cccc1F
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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