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137154-95-1 | Propanedinitrile, 2-(1,3,4,5-tetrahydro-2H-1,3-benzodiazepin-2-ylidene)-
CAS No: 137154-95-1 Catalog No: AG0012VS MDL No:
Product Description
Catalog Number:
AG0012VS
Chemical Name:
Propanedinitrile, 2-(1,3,4,5-tetrahydro-2H-1,3-benzodiazepin-2-ylidene)-
CAS Number:
137154-95-1
Molecular Formula:
C12H10N4
Molecular Weight:
210.2346
IUPAC Name:
2-(1,3,4,5-tetrahydro-1,3-benzodiazepin-2-ylidene)propanedinitrile
InChI:
InChI=1S/C12H10N4/c13-7-10(8-14)12-15-6-5-9-3-1-2-4-11(9)16-12/h1-4,15-16H,5-6H2
InChI Key:
XERCWCHEBAPYSH-UHFFFAOYSA-N
SMILES:
N#CC(=C1NCCc2c(N1)cccc2)C#N
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.24g/mol
Monoisotopic Mass:
210.091g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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