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1250052-21-1 | Benzenamine, 2,3-difluoro-6-nitro-N-propyl-
CAS No: 1250052-21-1 Catalog No: AG000MYQ MDL No:MFCD16787122
Product Description
Catalog Number:
AG000MYQ
Chemical Name:
Benzenamine, 2,3-difluoro-6-nitro-N-propyl-
CAS Number:
1250052-21-1
Molecular Formula:
C9H10F2N2O2
Molecular Weight:
216.1847
MDL Number:
MFCD16787122
IUPAC Name:
2,3-difluoro-6-nitro-N-propylaniline
InChI:
InChI=1S/C9H10F2N2O2/c1-2-5-12-9-7(13(14)15)4-3-6(10)8(9)11/h3-4,12H,2,5H2,1H3
InChI Key:
XBXQEKYLSBPCDV-UHFFFAOYSA-N
SMILES:
CCCNc1c(ccc(c1F)F)[N+](=O)[O-]
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.188g/mol
Monoisotopic Mass:
216.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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