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89005-11-8 | 3-Bromo-2-naphthaldehyde
CAS No: 89005-11-8 Catalog No: AG004509 MDL No:MFCD17012413
Product Description
Catalog Number:
AG004509
Chemical Name:
3-Bromo-2-naphthaldehyde
CAS Number:
89005-11-8
Molecular Formula:
C11H7BrO
Molecular Weight:
235.0767
MDL Number:
MFCD17012413
IUPAC Name:
3-bromonaphthalene-2-carbaldehyde
InChI:
InChI=1S/C11H7BrO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-7H
InChI Key:
ZKTRKPUSTOGJMJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2cc1Br
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.968g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.08g/mol
Monoisotopic Mass:
233.968g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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