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Home > Aldehydes > 960607-56-1
960607-56-1 | (3-Bromo-1,4-dimethoxynaphthalen-2-yl) acetaldehyde
CAS No: 960607-56-1 Catalog No: AG01F07J MDL No:
Product Description
Catalog Number:
AG01F07J
Chemical Name:
(3-Bromo-1,4-dimethoxynaphthalen-2-yl) acetaldehyde
CAS Number:
960607-56-1
Molecular Formula:
C14H13BrO3
Molecular Weight:
309.1552
IUPAC Name:
2-(3-bromo-1,4-dimethoxynaphthalen-2-yl)acetaldehyde
InChI:
InChI=1S/C14H13BrO3/c1-17-13-9-5-3-4-6-10(9)14(18-2)12(15)11(13)7-8-16/h3-6,8H,7H2,1-2H3
InChI Key:
WCMLIWWASXNPFY-UHFFFAOYSA-N
SMILES:
O=CCc1c(Br)c(OC)c2c(c1OC)cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.159g/mol
Monoisotopic Mass:
308.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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