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1227511-82-1 | 2-Nitro-3-(trifluoromethyl)benzyl alcohol
CAS No: 1227511-82-1 Catalog No: AG01FGV3 MDL No:
Product Description
Catalog Number:
AG01FGV3
Chemical Name:
2-Nitro-3-(trifluoromethyl)benzyl alcohol
CAS Number:
1227511-82-1
IUPAC Name:
[2-nitro-3-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)6-3-1-2-5(4-13)7(6)12(14)15/h1-3,13H,4H2
InChI Key:
AANGBUMPGPSFDG-UHFFFAOYSA-N
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
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