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Home > Fluorides > 1260642-67-8
1260642-67-8 | Carbamic acid, N-[2-iodo-4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
CAS No: 1260642-67-8 Catalog No: AG000QXH MDL No:
Product Description
Catalog Number:
AG000QXH
Chemical Name:
Carbamic acid, N-[2-iodo-4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
1260642-67-8
Molecular Formula:
C12H13F3INO2
Molecular Weight:
387.1368
IUPAC Name:
tert-butyl N-[2-iodo-4-(trifluoromethyl)phenyl]carbamate
InChI:
InChI=1S/C12H13F3INO2/c1-11(2,3)19-10(18)17-9-5-4-7(6-8(9)16)12(13,14)15/h4-6H,1-3H3,(H,17,18)
InChI Key:
WWBGOZDAIAVKAT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1I)C(F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.994g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.141g/mol
Monoisotopic Mass:
386.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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