CAS: 329-01-1
이름: 1-isocyanato-3-(trifluoromethyl)benzene
SMILES:
C1=CC(=CC(=C1)N=C=O)C(F)(F)FMolecular Processing
Molecular formula
C8H4F3NO
Molecular weight
187.12
Exact mass
187.0245
XLogP
2.67
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
39.23
Supplementary Information
InChIKey: SXJYSIBLFGQAND-UHFFFAOYSA-N
동의어
3-(Trifluoromethyl)phenyl isocyanate1-Isocyanato-3-(trifluoromethyl)benzeneBenzene, 1-isocyanato-3-(trifluoromethyl)-3-TRIFLUOROMETHYLPHENYL ISOCYANATEalpha,alpha,alpha-Trifluoro-m-tolyl isocyanateDTXSID0027143QPS7LLZ6XMUNII-QPS7LLZ6XMm-(Trifluoromethyl)phenyl isocyanateEINECS 206-341-3alpha,alpha,alpha-Trifluoro-3-tolyl isocyanateBRN 07448801-isocyanato-3-trifluoromethylbenzene(alpha,alpha,alpha-Trifluoro-m-tolyl) isocyanateISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTERDTXCID307143Isocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl esterEC 206-341-34-12-00-01848 (Beilstein Handbook Reference).alpha.,.alpha.,.alpha.-Trifluoro-3-tolyl isocyanate.alpha.,.alpha.,.alpha.-Trifluoro-m-tolyl isocyanateIsocyanic acid, alpha,alpha,alpha-trifluoro-m-tolyl esterIsocyanic acid m-trifluoromethylphenyl ester1-(TRIFLUOROMETHYL)-3-(ISOCYANATO)BENZENE.alpha.,.alpha.,.alpha.-Trifluoro-meta-tolylisocyanateRefChem:92754alpha,alpha,alpha-Trifluoro-meta-tolylisocyanateSXJYSIBLFGQAND-UHFFFAOYSA-N329-01-1a,a,a-Trifluoro-m-tolyl isocyanate
283개 반응에 참여→