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161891-32-3 | 2-Propenal, 3-(4-bromophenyl)-3-chloro-, (2Z)-
CAS No: 161891-32-3 Catalog No: AG001VYO MDL No:
Product Description
Catalog Number:
AG001VYO
Chemical Name:
2-Propenal, 3-(4-bromophenyl)-3-chloro-, (2Z)-
CAS Number:
161891-32-3
Molecular Formula:
C9H6BrClO
Molecular Weight:
245.5003
IUPAC Name:
3-(4-bromophenyl)-3-chloroprop-2-enal
InChI:
InChI=1S/C9H6BrClO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-6H
InChI Key:
BMEIVZSKOZFHRN-UHFFFAOYSA-N
SMILES:
O=C/C=C(/c1ccc(cc1)Br)\Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.5g/mol
Monoisotopic Mass:
243.929g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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