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198205-81-1 | 4-(2-bromophenyl)benzaldehyde
CAS No: 198205-81-1 Catalog No: AG01B90R MDL No:MFCD05980885
Product Description
Catalog Number:
AG01B90R
Chemical Name:
4-(2-bromophenyl)benzaldehyde
CAS Number:
198205-81-1
Molecular Formula:
C13H9BrO
Molecular Weight:
261.1140
MDL Number:
MFCD05980885
IUPAC Name:
4-(2-bromophenyl)benzaldehyde
InChI:
InChI=1S/C13H9BrO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H
InChI Key:
ZJESBIYQYKDPMD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1ccccc1Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.118g/mol
Monoisotopic Mass:
259.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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