CAS: 327-78-6
이름: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene
SMILES:
C1=CC(=C(C=C1N=C=O)C(F)(F)F)ClMolecular Processing
Molecular formula
C8H3ClF3NO
Molecular weight
221.56
Exact mass
220.9855
XLogP
3.33
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
44.24
Supplementary Information
InChIKey: NBJZEUQTGLSUOB-UHFFFAOYSA-N
동의어
4-Chloro-3-(trifluoromethyl)phenyl isocyanate327-78-61-chloro-4-isocyanato-2-(trifluoromethyl)benzeneBENZENE, 1-CHLORO-4-ISOCYANATO-2-(TRIFLUOROMETHYL)-1-chloro-4-isocyanato-2-(trifluoromethyl) benzene6TE36JKP7LDTXSID70369818EC 608-783-6RefChem:431406DTXCID80320854455-070-9608-783-64-Chloro-3-(trifluoromethyl)phenylisocyanateMFCD000138744-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOCYANATE4-chloro-3-(trifluoromethyl)benzenisocyanateRegorafenib Impurity 171-Chloro-4-isocyanato-2-(trifluoromethyl)benzene; Isocyanic Acid 4-Chloro-a,a,a-trifluoro-m-tolyl Ester; 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene; 3-Trifluoromethyl-4-chlorophenyl Isocyanate; 4-Chloro-1-isocyanato-3-trifluoromethylbenzene; 4-Chloro-a,a,a-trifluoro-m-tolyl IsocyanateSCHEMBL58303orb1905830SCHEMBL29397209NPHZAFBVBAUSEN-UHFFFAOYSA-NALBB-007573CS-M2757GEO-00821SBB048895AKOS005063704FC030274-chloro-3-trifluoromethyphenylisocyanate3-trifluoromethyl-4-chlorophenylisocyanate
245개 반응에 참여→