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80793-25-5 | 3-(4-Bromophenyl)propionaldehyde
CAS No: 80793-25-5 Catalog No: AG0051ER MDL No:MFCD07772913
Product Description
Catalog Number:
AG0051ER
Chemical Name:
3-(4-Bromophenyl)propionaldehyde
CAS Number:
80793-25-5
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD07772913
IUPAC Name:
3-(4-bromophenyl)propanal
InChI:
InChI=1S/C9H9BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-7H,1-2H2
InChI Key:
RXZJWVPNFPPSEM-UHFFFAOYSA-N
SMILES:
O=CCCc1ccc(cc1)Br
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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