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Home > Aldehydes > 1249489-87-9
1249489-87-9 | 3-BroMo-4-(3-Methoxypropoxy)benzaldehyde
CAS No: 1249489-87-9 Catalog No: AG009WKV MDL No:MFCD17270663
Product Description
Catalog Number:
AG009WKV
Chemical Name:
3-BroMo-4-(3-Methoxypropoxy)benzaldehyde
CAS Number:
1249489-87-9
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD17270663
IUPAC Name:
3-bromo-4-(3-methoxypropoxy)benzaldehyde
InChI:
InChI=1S/C11H13BrO3/c1-14-5-2-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7-8H,2,5-6H2,1H3
InChI Key:
XWNPKCOBVRUROB-UHFFFAOYSA-N
SMILES:
COCCCOc1ccc(cc1Br)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:
2.3
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