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Home > Fluorides > 1260805-27-3
1260805-27-3 | Carbamic acid, N-[4-formyl-3-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1260805-27-3 Catalog No: AG000RC3 MDL No:
Product Description
Catalog Number:
AG000RC3
Chemical Name:
Carbamic acid, N-[4-formyl-3-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1260805-27-3
Molecular Formula:
C13H14F3NO3
Molecular Weight:
289.2504
IUPAC Name:
tert-butyl N-[4-formyl-3-(trifluoromethyl)phenyl]carbamate
InChI:
InChI=1S/C13H14F3NO3/c1-12(2,3)20-11(19)17-9-5-4-8(7-18)10(6-9)13(14,15)16/h4-7H,1-3H3,(H,17,19)
InChI Key:
QLNJXCDFOMWSFT-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.254g/mol
Monoisotopic Mass:
289.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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