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1445781-40-7 | 8-Quinazolinecarbonitrile, 5-bromo-
CAS No: 1445781-40-7 Catalog No: AG001JR4 MDL No:
Product Description
Catalog Number:
AG001JR4
Chemical Name:
8-Quinazolinecarbonitrile, 5-bromo-
CAS Number:
1445781-40-7
Molecular Formula:
C9H4BrN3
Molecular Weight:
234.0522
IUPAC Name:
5-bromoquinazoline-8-carbonitrile
InChI:
InChI=1S/C9H4BrN3/c10-8-2-1-6(3-11)9-7(8)4-12-5-13-9/h1-2,4-5H
InChI Key:
JSWVSPDINVTLGF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1ncnc2)Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.056g/mol
Monoisotopic Mass:
232.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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