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327-78-6 | 4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate
CAS No: 327-78-6 Catalog No: AG0033ZD MDL No:MFCD00013874
Product Description
Catalog Number:
AG0033ZD
Chemical Name:
4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate
CAS Number:
327-78-6
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD00013874
IUPAC Name:
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI Key:
NBJZEUQTGLSUOB-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)C(F)(F)F)Cl
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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