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114233-94-2 | 1,3-Propanediol, 2-(chlorodifluoromethyl)-2-nitro-
CAS No: 114233-94-2 Catalog No: AG000AVZ MDL No:
Product Description
Catalog Number:
AG000AVZ
Chemical Name:
1,3-Propanediol, 2-(chlorodifluoromethyl)-2-nitro-
CAS Number:
114233-94-2
Molecular Formula:
C4H6ClF2NO4
Molecular Weight:
205.5445
IUPAC Name:
2-[chloro(difluoro)methyl]-2-nitropropane-1,3-diol
InChI:
InChI=1S/C4H6ClF2NO4/c5-4(6,7)3(1-9,2-10)8(11)12/h9-10H,1-2H2
InChI Key:
JQVHMTVGMHEMGS-UHFFFAOYSA-N
SMILES:
OCC(C(Cl)(F)F)([N+](=O)[O-])CO
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.542g/mol
Monoisotopic Mass:
204.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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