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137040-93-8 | Benzeneacetonitrile, α-(2-bromo-2-propen-1-yl)-
CAS No: 137040-93-8 Catalog No: AG0012QY MDL No:
Product Description
Catalog Number:
AG0012QY
Chemical Name:
Benzeneacetonitrile, α-(2-bromo-2-propen-1-yl)-
CAS Number:
137040-93-8
Molecular Formula:
C11H10BrN
Molecular Weight:
236.1078
IUPAC Name:
4-bromo-2-phenylpent-4-enenitrile
InChI:
InChI=1S/C11H10BrN/c1-9(12)7-11(8-13)10-5-3-2-4-6-10/h2-6,11H,1,7H2
InChI Key:
PCUOXYSNHJPTSS-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)CC(=C)Br
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.112g/mol
Monoisotopic Mass:
235g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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