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Home > Nitro Compounds > 79606-48-7
79606-48-7 | Benzamide,N,N-bis(1-methylethyl)-4-nitro-
CAS No: 79606-48-7 Catalog No: AG005J9G MDL No:
Product Description
Catalog Number:
AG005J9G
Chemical Name:
Benzamide,N,N-bis(1-methylethyl)-4-nitro-
CAS Number:
79606-48-7
Molecular Formula:
C13H19N2O3-
Molecular Weight:
251.3016
IUPAC Name:
4-nitro-N,N-di(propan-2-yl)benzamide
InChI:
InChI=1S/C13H18N2O3/c1-9(2)14(10(3)4)13(16)11-5-7-12(8-6-11)15(17)18/h5-10H,1-4H3
InChI Key:
RDBKRCFDYJOIDU-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccc(cc1)N(O)[O-])C(C)C)C
NSC Number:
406865
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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