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851777-32-7 | 5-Benzofurancarbonitrile,2-(5-bromo-2-thienyl)-2,3-dihydro-
CAS No: 851777-32-7 Catalog No: AG004WCF MDL No:
Product Description
Catalog Number:
AG004WCF
Chemical Name:
5-Benzofurancarbonitrile,2-(5-bromo-2-thienyl)-2,3-dihydro-
CAS Number:
851777-32-7
Molecular Formula:
C13H8BrNOS
Molecular Weight:
306.1777
IUPAC Name:
2-(5-bromothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carbonitrile
InChI:
InChI=1S/C13H8BrNOS/c14-13-4-3-12(17-13)11-6-9-5-8(7-15)1-2-10(9)16-11/h1-5,11H,6H2
InChI Key:
XFRUMVRIKPTAKH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CC(O2)c1ccc(s1)Br
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.177g/mol
Monoisotopic Mass:
304.951g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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