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Home > Nitro Compounds > 41225-78-9
41225-78-9 | N-(tert-butyl)-2-nitrobenzamide
CAS No: 41225-78-9 Catalog No: AG00JH2B MDL No:MFCD01163452
Product Description
Catalog Number:
AG00JH2B
Chemical Name:
N-(tert-butyl)-2-nitrobenzamide
CAS Number:
41225-78-9
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD01163452
IUPAC Name:
N-tert-butyl-2-nitrobenzamide
InChI:
InChI=1S/C11H14N2O3/c1-11(2,3)12-10(14)8-6-4-5-7-9(8)13(15)16/h4-7H,1-3H3,(H,12,14)
InChI Key:
BMADOZDALQJUFQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1[N+](=O)[O-])NC(C)(C)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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