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101046-16-6 | Benzonitrile, 4-[6-(dimethylamino)-2-benzofuranyl]-
CAS No: 101046-16-6 Catalog No: AG0003M0 MDL No:
Product Description
Catalog Number:
AG0003M0
Chemical Name:
Benzonitrile, 4-[6-(dimethylamino)-2-benzofuranyl]-
CAS Number:
101046-16-6
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
IUPAC Name:
4-[6-(dimethylamino)-1-benzofuran-2-yl]benzonitrile
InChI:
InChI=1S/C17H14N2O/c1-19(2)15-8-7-14-9-16(20-17(14)10-15)13-5-3-12(11-18)4-6-13/h3-10H,1-2H3
InChI Key:
WDWAFEVFEGLHRK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cc2c(o1)cc(cc2)N(C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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