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139413-82-4 | 2-Propenenitrile, 2-(bromomethyl)-3-phenyl-, (2Z)-
CAS No: 139413-82-4 Catalog No: AG001AZ8 MDL No:
Product Description
Catalog Number:
AG001AZ8
Chemical Name:
2-Propenenitrile, 2-(bromomethyl)-3-phenyl-, (2Z)-
CAS Number:
139413-82-4
Molecular Formula:
C10H8BrN
Molecular Weight:
222.0812
IUPAC Name:
2-(bromomethyl)-3-phenylprop-2-enenitrile
InChI:
InChI=1S/C10H8BrN/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-6H,7H2
InChI Key:
JHLJCQSWEWQISP-UHFFFAOYSA-N
SMILES:
BrC/C(=C\c1ccccc1)/C#N
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:
1
XLogP3:
2.6
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