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121720-53-4 | Cyanamide, (2-bromo-5-hexyl-2,5-cyclohexadiene-1,4-diylidene)bis- (9CI)
CAS No: 121720-53-4 Catalog No: AG0015MN MDL No:
Product Description
Catalog Number:
AG0015MN
Chemical Name:
Cyanamide, (2-bromo-5-hexyl-2,5-cyclohexadiene-1,4-diylidene)bis- (9CI)
CAS Number:
121720-53-4
Molecular Formula:
C14H15BrN4
Molecular Weight:
319.1997
IUPAC Name:
(2-bromo-4-cyanoimino-5-hexylcyclohexa-2,5-dien-1-ylidene)cyanamide
InChI:
InChI=1S/C14H15BrN4/c1-2-3-4-5-6-11-7-14(19-10-17)12(15)8-13(11)18-9-16/h7-8H,2-6H2,1H3
InChI Key:
WQEVWMMKQKXZRU-UHFFFAOYSA-N
SMILES:
CCCCCCC1=CC(=NC#N)C(=CC1=NC#N)Br
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.206g/mol
Monoisotopic Mass:
318.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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