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28987-49-7 | Benzene, 2-fluoro-1-nitro-4-propoxy-
CAS No: 28987-49-7 Catalog No: AG002V32 MDL No:
Product Description
Catalog Number:
AG002V32
Chemical Name:
Benzene, 2-fluoro-1-nitro-4-propoxy-
CAS Number:
28987-49-7
Molecular Formula:
C9H10FNO3
Molecular Weight:
199.1790
IUPAC Name:
2-fluoro-1-nitro-4-propoxybenzene
InChI:
InChI=1S/C9H10FNO3/c1-2-5-14-7-3-4-9(11(12)13)8(10)6-7/h3-4,6H,2,5H2,1H3
InChI Key:
RDRWAMYDJLVUCE-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1)F)[N+](=O)[O-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.181g/mol
Monoisotopic Mass:
199.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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