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Home > Nitro Compounds > 102015-09-8
102015-09-8 | 1-(3-Methoxypropoxy)-4-nitrobenzene
CAS No: 102015-09-8 Catalog No: AG01EQLN MDL No:
Product Description
Catalog Number:
AG01EQLN
Chemical Name:
1-(3-Methoxypropoxy)-4-nitrobenzene
CAS Number:
102015-09-8
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
IUPAC Name:
1-(3-methoxypropoxy)-4-nitrobenzene
InChI:
InChI=1S/C10H13NO4/c1-14-7-2-8-15-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3
InChI Key:
RBNQKQWWMUSBBC-UHFFFAOYSA-N
SMILES:
COCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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