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100482-44-8 | Benzenepropanol, γ-chloro-3-nitro-α,α-bis(trifluoromethyl)-
CAS No: 100482-44-8 Catalog No: AG00022P MDL No:
Product Description
Catalog Number:
AG00022P
Chemical Name:
Benzenepropanol, γ-chloro-3-nitro-α,α-bis(trifluoromethyl)-
CAS Number:
100482-44-8
Molecular Formula:
C11H8ClF6NO3
Molecular Weight:
351.6295
IUPAC Name:
4-chloro-1,1,1-trifluoro-4-(3-nitrophenyl)-2-(trifluoromethyl)butan-2-ol
InChI:
InChI=1S/C11H8ClF6NO3/c12-8(6-2-1-3-7(4-6)19(21)22)5-9(20,10(13,14)15)11(16,17)18/h1-4,8,20H,5H2
InChI Key:
UFLYCPKQNJKUGW-UHFFFAOYSA-N
SMILES:
ClC(c1cccc(c1)[N+](=O)[O-])CC(C(F)(F)F)(C(F)(F)F)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.01g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.629g/mol
Monoisotopic Mass:
351.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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