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13071-88-0 | Propane, 1,2-dichloro-2-fluoro-3-nitro-
CAS No: 13071-88-0 Catalog No: AG000UTY MDL No:
Product Description
Catalog Number:
AG000UTY
Chemical Name:
Propane, 1,2-dichloro-2-fluoro-3-nitro-
CAS Number:
13071-88-0
Molecular Formula:
C3H4Cl2FNO2
Molecular Weight:
175.9738
IUPAC Name:
1,2-dichloro-2-fluoro-3-nitropropane
InChI:
InChI=1S/C3H4Cl2FNO2/c4-1-3(5,6)2-7(8)9/h1-2H2
InChI Key:
SNXNFPUYUJESJA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(CCl)(Cl)F
EC Number:
603-431-8
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.96g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.968g/mol
Monoisotopic Mass:
174.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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