200,000+ products from a single source!
sales@angenechem.com
2251-79-8 | 5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole
CAS No: 2251-79-8 Catalog No: AG003MBB MDL No:MFCD00052525
Product Description
Catalog Number:
AG003MBB
Chemical Name:
5-(4-(Trifluoromethyl)phenyl)-1H-tetrazole
CAS Number:
2251-79-8
Molecular Formula:
C8H5F3N4
Molecular Weight:
214.1473
MDL Number:
MFCD00052525
IUPAC Name:
5-[4-(trifluoromethyl)phenyl]-2H-tetrazole
InChI:
InChI=1S/C8H5F3N4/c9-8(10,11)6-3-1-5(2-4-6)7-12-14-15-13-7/h1-4H,(H,12,13,14,15)
InChI Key:
CCVCHQBLMDMSNN-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nnn[nH]1)(F)F
NSC Number:
379560
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.151g/mol
Monoisotopic Mass:
214.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.