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1349708-70-8 | 5-Isocyanato-1-methyl-3-trifluoromethyl-1H-pyrazole
CAS No: 1349708-70-8 Catalog No: AG01F8R3 MDL No:MFCD20233406
Product Description
Catalog Number:
AG01F8R3
Chemical Name:
5-Isocyanato-1-methyl-3-trifluoromethyl-1H-pyrazole
CAS Number:
1349708-70-8
Molecular Formula:
C6H4F3N3O
Molecular Weight:
191.1107
MDL Number:
MFCD20233406
IUPAC Name:
5-isocyanato-1-methyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C6H4F3N3O/c1-12-5(10-3-13)2-4(11-12)6(7,8)9/h2H,1H3
InChI Key:
YKWXTQJDTLROKM-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(nn1C)C(F)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.113g/mol
Monoisotopic Mass:
191.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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