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148252-40-8 | Benzonitrile, 4-(2-bromo-2-propen-1-yl)-
CAS No: 148252-40-8 Catalog No: AG001FKN MDL No:MFCD00671916
Product Description
Catalog Number:
AG001FKN
Chemical Name:
Benzonitrile, 4-(2-bromo-2-propen-1-yl)-
CAS Number:
148252-40-8
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
MDL Number:
MFCD00671916
IUPAC Name:
4-(2-bromoprop-2-enyl)benzonitrile
InChI:
InChI=1S/C10H8BrN/c1-8(11)6-9-2-4-10(7-12)5-3-9/h2-5H,1,6H2
InChI Key:
VYLJXFRHNXADQN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC(=C)Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.085g/mol
Monoisotopic Mass:
220.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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