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Home > Nitro Compounds > 7252-51-9
7252-51-9 | benzene, 1-butoxy-2-nitro-
CAS No: 7252-51-9 Catalog No: AG0064XL MDL No:
Product Description
Catalog Number:
AG0064XL
Chemical Name:
benzene, 1-butoxy-2-nitro-
CAS Number:
7252-51-9
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
1-butoxy-2-nitrobenzene
InChI:
InChI=1S/C10H13NO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7H,2-3,8H2,1H3
InChI Key:
VOCILNVWSWTHNE-UHFFFAOYSA-N
SMILES:
CCCCOc1ccccc1[N+](=O)[O-]
NSC Number:
55074
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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