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124885-24-1 | Carbamic acid, (2,4,6-trifluorophenyl)-, phenyl ester (9CI)
CAS No: 124885-24-1 Catalog No: AG000MUG MDL No:
Product Description
Catalog Number:
AG000MUG
Chemical Name:
Carbamic acid, (2,4,6-trifluorophenyl)-, phenyl ester (9CI)
CAS Number:
124885-24-1
Molecular Formula:
C13H8F3NO2
Molecular Weight:
267.2033
IUPAC Name:
phenyl N-(2,4,6-trifluorophenyl)carbamate
InChI:
InChI=1S/C13H8F3NO2/c14-8-6-10(15)12(11(16)7-8)17-13(18)19-9-4-2-1-3-5-9/h1-7H,(H,17,18)
InChI Key:
XNVHLZNMYBIIDA-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(F)cc(cc1F)F)Oc1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.207g/mol
Monoisotopic Mass:
267.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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