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879125-90-3 | 1-Propene, 3-chloro-3,3-difluoro-1-nitro-
CAS No: 879125-90-3 Catalog No: AG004HKK MDL No:
Product Description
Catalog Number:
AG004HKK
Chemical Name:
1-Propene, 3-chloro-3,3-difluoro-1-nitro-
CAS Number:
879125-90-3
Molecular Formula:
C3H2ClF2NO2
Molecular Weight:
157.5033
IUPAC Name:
3-chloro-3,3-difluoro-1-nitroprop-1-ene
InChI:
InChI=1S/C3H2ClF2NO2/c4-3(5,6)1-2-7(8)9/h1-2H
InChI Key:
KDGMJXVWZYLJAY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=CC(Cl)(F)F
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.501g/mol
Monoisotopic Mass:
156.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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