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Home > Aldehydes > 148433-01-6
148433-01-6 | Benzaldehyde, 3-(3-bromopropoxy)-4-methoxy-
CAS No: 148433-01-6 Catalog No: AG001KX0 MDL No:
Product Description
Catalog Number:
AG001KX0
Chemical Name:
Benzaldehyde, 3-(3-bromopropoxy)-4-methoxy-
CAS Number:
148433-01-6
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
3-(3-bromopropoxy)-4-methoxybenzaldehyde
InChI:
InChI=1S/C11H13BrO3/c1-14-10-4-3-9(8-13)7-11(10)15-6-2-5-12/h3-4,7-8H,2,5-6H2,1H3
InChI Key:
CTYOZVWHRKNWGS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCCCBr)C=O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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