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1373223-18-7 | Carbamic acid, N-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-, 1,1-dimethylethyl ester
CAS No: 1373223-18-7 Catalog No: AG00133T MDL No:MFCD22201166
Product Description
Catalog Number:
AG00133T
Chemical Name:
Carbamic acid, N-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]-, 1,1-dimethylethyl ester
CAS Number:
1373223-18-7
Molecular Formula:
C11H12ClF3N2O2
Molecular Weight:
296.6734
MDL Number:
MFCD22201166
IUPAC Name:
tert-butyl N-[2-chloro-6-(trifluoromethyl)pyridin-4-yl]carbamate
InChI:
InChI=1S/C11H12ClF3N2O2/c1-10(2,3)19-9(18)16-6-4-7(11(13,14)15)17-8(12)5-6/h4-5H,1-3H3,(H,16,17,18)
InChI Key:
BIQHJEMLFFESKK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cc(Cl)nc(c1)C(F)(F)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.054g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.674g/mol
Monoisotopic Mass:
296.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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