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86254-44-6 | 3-Benzazocine-2-carbonitrile, 1,2,3,4-tetrahydro-3,6-dimethyl-
CAS No: 86254-44-6 Catalog No: AG004JRB MDL No:
Product Description
Catalog Number:
AG004JRB
Chemical Name:
3-Benzazocine-2-carbonitrile, 1,2,3,4-tetrahydro-3,6-dimethyl-
CAS Number:
86254-44-6
Molecular Formula:
C14H16N2
Molecular Weight:
212.2902
IUPAC Name:
3,6-dimethyl-2,4-dihydro-1H-3-benzazocine-2-carbonitrile
InChI:
InChI=1S/C14H16N2/c1-11-7-8-16(2)13(10-15)9-12-5-3-4-6-14(11)12/h3-7,13H,8-9H2,1-2H3
InChI Key:
SYEOCIJUQRDNAD-UHFFFAOYSA-N
SMILES:
N#CC1Cc2ccccc2C(=CCN1C)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.296g/mol
Monoisotopic Mass:
212.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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