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137730-91-7 | 1,4-Benzenediamine, N1,N4-bis(4-imino-2,5-cyclohexadien-1-ylidene)-
CAS No: 137730-91-7 Catalog No: AG0013S0 MDL No:
Product Description
Catalog Number:
AG0013S0
Chemical Name:
1,4-Benzenediamine, N1,N4-bis(4-imino-2,5-cyclohexadien-1-ylidene)-
CAS Number:
137730-91-7
Molecular Formula:
C18H14N4
Molecular Weight:
286.3306
IUPAC Name:
4-N-[4-[(4-iminocyclohexa-2,5-dien-1-ylidene)amino]phenyl]cyclohexa-2,5-diene-1,4-diimine
InChI:
InChI=1S/C18H14N4/c19-13-1-5-15(6-2-13)21-17-9-11-18(12-10-17)22-16-7-3-14(20)4-8-16/h1-12,19-20H
InChI Key:
MNRTXRDCORYMPE-UHFFFAOYSA-N
SMILES:
N=C1C=CC(=Nc2ccc(cc2)N=C2C=CC(=N)C=C2)C=C1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.338g/mol
Monoisotopic Mass:
286.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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