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823791-63-5 | Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)-
CAS No: 823791-63-5 Catalog No: AG005D6Q MDL No:
Product Description
Catalog Number:
AG005D6Q
Chemical Name:
Benzene, 2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)-
CAS Number:
823791-63-5
Molecular Formula:
C9H2ClF6NO
Molecular Weight:
289.5617
IUPAC Name:
2-chloro-1-isocyanato-3,5-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H2ClF6NO/c10-7-5(9(14,15)16)1-4(8(11,12)13)2-6(7)17-3-18/h1-2H
InChI Key:
JBGIAJUEBREQGI-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(cc(c1Cl)C(F)(F)F)C(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.973g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.561g/mol
Monoisotopic Mass:
288.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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