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1170466-40-6 | 3,4-DIHYDROISOQUINOLIN-2(1H)-YL(1-METHYL-1H-PYRROL-2-YL)ACETONITRILE
CAS No: 1170466-40-6 Catalog No: AG01ARPY MDL No:MFCD11987099
Product Description
Catalog Number:
AG01ARPY
Chemical Name:
3,4-DIHYDROISOQUINOLIN-2(1H)-YL(1-METHYL-1H-PYRROL-2-YL)ACETONITRILE
CAS Number:
1170466-40-6
MDL Number:
MFCD11987099
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)acetonitrile
InChI:
InChI=1S/C16H17N3/c1-18-9-4-7-15(18)16(11-17)19-10-8-13-5-2-3-6-14(13)12-19/h2-7,9,16H,8,10,12H2,1H3
InChI Key:
KGJMLHCCSMBQNU-UHFFFAOYSA-N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.333g/mol
Monoisotopic Mass:
251.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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