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Home > Bromides > 1260761-83-8
1260761-83-8 | Benzonitrile, 4-acetyl-3-bromo-
CAS No: 1260761-83-8 Catalog No: AG000R5A MDL No:
Product Description
Catalog Number:
AG000R5A
Chemical Name:
Benzonitrile, 4-acetyl-3-bromo-
CAS Number:
1260761-83-8
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
IUPAC Name:
4-acetyl-3-bromobenzonitrile
InChI:
InChI=1S/C9H6BrNO/c1-6(12)8-3-2-7(5-11)4-9(8)10/h2-4H,1H3
InChI Key:
KYIGKPZOSZSXGB-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)Br)C(=O)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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