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Home > Aldehydes > 101500-22-5
101500-22-5 | Benzaldehyde, 3-bromo-4-(octyloxy)-
CAS No: 101500-22-5 Catalog No: AG0004NS MDL No:MFCD18586003
Product Description
Catalog Number:
AG0004NS
Chemical Name:
Benzaldehyde, 3-bromo-4-(octyloxy)-
CAS Number:
101500-22-5
Molecular Formula:
C15H21BrO2
Molecular Weight:
313.2300
MDL Number:
MFCD18586003
IUPAC Name:
3-bromo-4-octoxybenzaldehyde
InChI:
InChI=1S/C15H21BrO2/c1-2-3-4-5-6-7-10-18-15-9-8-13(12-17)11-14(15)16/h8-9,11-12H,2-7,10H2,1H3
InChI Key:
CTEGLDYUDSIDAV-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1Br)C=O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.235g/mol
Monoisotopic Mass:
312.072g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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