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122329-01-5 | Benzene, 1-butoxy-3-nitro-
CAS No: 122329-01-5 Catalog No: AG00HGPH MDL No:
Product Description
Catalog Number:
AG00HGPH
Chemical Name:
Benzene, 1-butoxy-3-nitro-
CAS Number:
122329-01-5
IUPAC Name:
1-butoxy-3-nitrobenzene
InChI:
InChI=1S/C10H13NO3/c1-2-3-7-14-10-6-4-5-9(8-10)11(12)13/h4-6,8H,2-3,7H2,1H3
InChI Key:
ZYRDOYFKUWNBSQ-UHFFFAOYSA-N
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:
3.4
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