Home Other Building Blocks (2-Nitro-4-(trifluoromethyl)phenyl)methanol

(2-Nitro-4-(trifluoromethyl)phenyl)methanol

CAS No.:
133605-27-3
Catalog Number:
AG007N8G
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
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Product Description
Catalog Number:
AG007N8G
Chemical Name:
(2-Nitro-4-(trifluoromethyl)phenyl)methanol
CAS Number:
133605-27-3
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD03095418
IUPAC Name:
[2-nitro-4-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)6-2-1-5(4-13)7(3-6)12(14)15/h1-3,13H,4H2
InChI Key:
FQPWWEYTNHARPU-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1[N+](=O)[O-])C(F)(F)F
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties