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51359-78-5 | 4-(bromomethyl)-Benzaldehyde
CAS No: 51359-78-5 Catalog No: AG0037ED MDL No:MFCD08271963
Product Description
Catalog Number:
AG0037ED
Chemical Name:
4-(bromomethyl)-Benzaldehyde
CAS Number:
51359-78-5
Molecular Formula:
C8H7BrO
Molecular Weight:
199.0446
MDL Number:
MFCD08271963
IUPAC Name:
4-(bromomethyl)benzaldehyde
InChI:
InChI=1S/C8H7BrO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2
InChI Key:
XYPVBKDHERGKJG-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C=O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.968g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.047g/mol
Monoisotopic Mass:
197.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| {8-[4-(Bromo-meth-yl)benzo-yl]-2,7-dimeth-oxy-naphthalen-1-yl}[4-(bromo-meth-yl)phen-yl]methanone. | Acta crystallographica. Section E, Structure reports online 20110801 |
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