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102612-65-7 | Pentanenitrile, 5-chloro-4-(chlorodifluoromethyl)-5,5-difluoro-2,4-dihydroxy-2-methyl-
CAS No: 102612-65-7 Catalog No: AG0007XJ MDL No:
Product Description
Catalog Number:
AG0007XJ
Chemical Name:
Pentanenitrile, 5-chloro-4-(chlorodifluoromethyl)-5,5-difluoro-2,4-dihydroxy-2-methyl-
CAS Number:
102612-65-7
Molecular Formula:
C7H7Cl2F4NO2
Molecular Weight:
284.0356
IUPAC Name:
5-chloro-4-[chloro(difluoro)methyl]-5,5-difluoro-2,4-dihydroxy-2-methylpentanenitrile
InChI:
InChI=1S/C7H7Cl2F4NO2/c1-4(15,3-14)2-5(16,6(8,10)11)7(9,12)13/h15-16H,2H2,1H3
InChI Key:
OEIHURFLMQCJIG-UHFFFAOYSA-N
SMILES:
N#CC(CC(C(Cl)(F)F)(C(Cl)(F)F)O)(O)C
NSC Number:
663993
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.032g/mol
Monoisotopic Mass:
282.979g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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