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28987-45-3 | Benzene, 4-fluoro-1-nitro-2-propoxy-
CAS No: 28987-45-3 Catalog No: AG002V36 MDL No:MFCD19237155
Product Description
Catalog Number:
AG002V36
Chemical Name:
Benzene, 4-fluoro-1-nitro-2-propoxy-
CAS Number:
28987-45-3
Molecular Formula:
C9H10FNO3
Molecular Weight:
199.1790
MDL Number:
MFCD19237155
IUPAC Name:
4-fluoro-1-nitro-2-propoxybenzene
InChI:
InChI=1S/C9H10FNO3/c1-2-5-14-9-6-7(10)3-4-8(9)11(12)13/h3-4,6H,2,5H2,1H3
InChI Key:
WIERVAJLYZESGW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1OCCC)F
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:
2.6
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