200,000+ products from a single source!
sales@angenechem.com
115127-52-1 | 3H-Diazirine, 3-chloro-3-[4-(trifluoromethyl)phenyl]-
CAS No: 115127-52-1 Catalog No: AG000GB9 MDL No:
Product Description
Catalog Number:
AG000GB9
Chemical Name:
3H-Diazirine, 3-chloro-3-[4-(trifluoromethyl)phenyl]-
CAS Number:
115127-52-1
Molecular Formula:
C8H4ClF3N2
Molecular Weight:
220.5790
IUPAC Name:
3-chloro-3-[4-(trifluoromethyl)phenyl]diazirine
InChI:
InChI=1S/C8H4ClF3N2/c9-7(13-14-7)5-1-3-6(4-2-5)8(10,11)12/h1-4H
InChI Key:
RQIULBWQOACIEC-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C1(Cl)N=N1)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.579g/mol
Monoisotopic Mass:
220.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.