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Home > Nitro Compounds > 1881330-27-3
1881330-27-3 | 2-(2-methylpropoxy)-4-nitrobenzonitrile
CAS No: 1881330-27-3 Catalog No: AG00I2KZ MDL No:
Product Description
Catalog Number:
AG00I2KZ
Chemical Name:
2-(2-methylpropoxy)-4-nitrobenzonitrile
CAS Number:
1881330-27-3
IUPAC Name:
2-(2-methylpropoxy)-4-nitrobenzonitrile
InChI:
InChI=1S/C11H12N2O3/c1-8(2)7-16-11-5-10(13(14)15)4-3-9(11)6-12/h3-5,8H,7H2,1-2H3
InChI Key:
SMFDNTQLUJUDLN-UHFFFAOYSA-N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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