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Home > Nitro Compounds > 873056-28-1
873056-28-1 | 2-(tert-butyl)-5-nitrobenzonitrile
CAS No: 873056-28-1 Catalog No: AG00H2F6 MDL No:
Product Description
Catalog Number:
AG00H2F6
Chemical Name:
2-(tert-butyl)-5-nitrobenzonitrile
CAS Number:
873056-28-1
IUPAC Name:
2-tert-butyl-5-nitrobenzonitrile
InChI:
InChI=1S/C11H12N2O2/c1-11(2,3)10-5-4-9(13(14)15)6-8(10)7-12/h4-6H,1-3H3
InChI Key:
MKYYFRCHNSLPAH-UHFFFAOYSA-N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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