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14804-59-2 | 2-Propenal, 3-bromo-3-phenyl-
CAS No: 14804-59-2 Catalog No: AG001FE7 MDL No:
Product Description
Catalog Number:
AG001FE7
Chemical Name:
2-Propenal, 3-bromo-3-phenyl-
CAS Number:
14804-59-2
Molecular Formula:
C9H7BrO
Molecular Weight:
211.0553
IUPAC Name:
3-bromo-3-phenylprop-2-enal
InChI:
InChI=1S/C9H7BrO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-7H
InChI Key:
JDMDIAPAKMHNQV-UHFFFAOYSA-N
SMILES:
O=CC=C(c1ccccc1)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.058g/mol
Monoisotopic Mass:
209.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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