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100723-77-1 | 1H-Carbazole-6-carbonitrile, 2,3,4,9-tetrahydro-
CAS No: 100723-77-1 Catalog No: AG0002QI MDL No:MFCD12402555
Product Description
Catalog Number:
AG0002QI
Chemical Name:
1H-Carbazole-6-carbonitrile, 2,3,4,9-tetrahydro-
CAS Number:
100723-77-1
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
MDL Number:
MFCD12402555
IUPAC Name:
6,7,8,9-tetrahydro-5H-carbazole-3-carbonitrile
InChI:
InChI=1S/C13H12N2/c14-8-9-5-6-13-11(7-9)10-3-1-2-4-12(10)15-13/h5-7,15H,1-4H2
InChI Key:
ZJZCODRVOUTZLA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c1CCCCc1[nH]2
NSC Number:
54766
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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