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7696-62-0

7696-62-0 | 1-butoxy-4-nitroso-benzene

CAS No: 7696-62-0 Catalog No: AG005F9N MDL No:

Product Description

Catalog Number:
AG005F9N
Chemical Name:
1-butoxy-4-nitroso-benzene
CAS Number:
7696-62-0
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
1-butoxy-4-nitrosobenzene
InChI:
InChI=1S/C10H13NO2/c1-2-3-8-13-10-6-4-9(11-12)5-7-10/h4-7H,2-3,8H2,1H3
InChI Key:
HHCWEYIZCWPGCS-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)N=O

Properties

Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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