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N-NITRO-DIPHENYLAMINE

CAS No.:
31432-60-7
Catalog Number:
AG00C9AZ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C9AZ
Chemical Name:
N-NITRO-DIPHENYLAMINE
CAS Number:
31432-60-7
MDL Number:
MFCD00071754
IUPAC Name:
N,N-diphenylnitramide
InChI:
InChI=1S/C12H10N2O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChI Key:
AYLBVKUPVXVTSO-UHFFFAOYSA-N
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Excitation spectra of nitro-diphenylaniline: accurate time-dependent density functional theory predictions for charge-transfer dyes. The Journal of chemical physics 20060528
Properties