Home Other Building Blocks Benzene, 2-fluoro-1-isocyanato-3-(trifluoromethyl)-

Benzene, 2-fluoro-1-isocyanato-3-(trifluoromethyl)-

CAS No.:
190774-52-8
Catalog Number:
AG002ESG
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
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Product Description
Catalog Number:
AG002ESG
Chemical Name:
Benzene, 2-fluoro-1-isocyanato-3-(trifluoromethyl)-
CAS Number:
190774-52-8
Molecular Formula:
C8H3F4NO
Molecular Weight:
205.1091
MDL Number:
MFCD00673068
IUPAC Name:
2-fluoro-1-isocyanato-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H3F4NO/c9-7-5(8(10,11)12)2-1-3-6(7)13-4-14/h1-3H
InChI Key:
XBTHHWYOEISJNF-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1F)C(F)(F)F
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.112g/mol
Monoisotopic Mass:
205.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties