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Home > Bromides > 1289080-94-9
1289080-94-9 | Benzonitrile, 3-acetyl-5-bromo-2-hydroxy-
CAS No: 1289080-94-9 Catalog No: AG000YIQ MDL No:
Product Description
Catalog Number:
AG000YIQ
Chemical Name:
Benzonitrile, 3-acetyl-5-bromo-2-hydroxy-
CAS Number:
1289080-94-9
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
IUPAC Name:
3-acetyl-5-bromo-2-hydroxybenzonitrile
InChI:
InChI=1S/C9H6BrNO2/c1-5(12)8-3-7(10)2-6(4-11)9(8)13/h2-3,13H,1H3
InChI Key:
GDWHACSPUNMCKG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1O)C(=O)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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