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Home > Fluorides > 773873-67-9
773873-67-9 | 2,3,6-Trifluorobenzoic acid methyl ester
CAS No: 773873-67-9 Catalog No: AG01EXD0 MDL No:MFCD06203701
Product Description
Catalog Number:
AG01EXD0
Chemical Name:
2,3,6-Trifluorobenzoic acid methyl ester
CAS Number:
773873-67-9
Molecular Formula:
C8H5F3O2
Molecular Weight:
190.1193
MDL Number:
MFCD06203701
IUPAC Name:
methyl 2,3,6-trifluorobenzoate
InChI:
InChI=1S/C8H5F3O2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,1H3
InChI Key:
YPJBTQSRHVPURE-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1F)F
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.121g/mol
Monoisotopic Mass:
190.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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