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437998-31-7 | 4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile hydrochloride
CAS No: 437998-31-7 Catalog No: AG01A3U8 MDL No:MFCD23144110
Product Description
Catalog Number:
AG01A3U8
Chemical Name:
4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile hydrochloride
CAS Number:
437998-31-7
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
MDL Number:
MFCD23144110
IUPAC Name:
4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile;hydrochloride
InChI:
InChI=1S/C12H12N2.ClH/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;/h1-5,14H,6-8H2;1H
InChI Key:
DVGLYEKOVYITIF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C1=CCNCC1.Cl
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.7g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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