Home Nitros Benzenemethanol, 2-nitro-alpha-(trifluoromethyl)- (9CI)

Benzenemethanol, 2-nitro-alpha-(trifluoromethyl)- (9CI)

CAS No.:
700362-32-9
Catalog Number:
AG00FJEH
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00FJEH
Chemical Name:
Benzenemethanol, 2-nitro-alpha-(trifluoromethyl)- (9CI)
CAS Number:
700362-32-9
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
IUPAC Name:
2,2,2-trifluoro-1-(2-nitrophenyl)ethanol
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)7(13)5-3-1-2-4-6(5)12(14)15/h1-4,7,13H
InChI Key:
ABHAFAQMIBXHIR-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties