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100482-54-0 | Benzenemethanol, 3-nitro-α-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-
CAS No: 100482-54-0 Catalog No: AG00023X MDL No:
Product Description
Catalog Number:
AG00023X
Chemical Name:
Benzenemethanol, 3-nitro-α-[3,3,3-trifluoro-2-(trifluoromethyl)-1-propen-1-yl]-
CAS Number:
100482-54-0
Molecular Formula:
C11H7F6NO3
Molecular Weight:
315.1686
IUPAC Name:
4,4,4-trifluoro-1-(3-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-ol
InChI:
InChI=1S/C11H7F6NO3/c12-10(13,14)9(11(15,16)17)5-8(19)6-2-1-3-7(4-6)18(20)21/h1-5,8,19H
InChI Key:
IDDNADSOAFYBIV-UHFFFAOYSA-N
SMILES:
OC(c1cccc(c1)[N+](=O)[O-])C=C(C(F)(F)F)C(F)(F)F
NSC Number:
162145
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.033g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.171g/mol
Monoisotopic Mass:
315.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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