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938370-87-7 | 3-Bromo-4-(2-(piperidin-1-yl)ethoxy)benzaldehyde
CAS No: 938370-87-7 Catalog No: AG00601H MDL No:MFCD09712503
Product Description
Catalog Number:
AG00601H
Chemical Name:
3-Bromo-4-(2-(piperidin-1-yl)ethoxy)benzaldehyde
CAS Number:
938370-87-7
Molecular Formula:
C14H18BrNO2
Molecular Weight:
312.2022
MDL Number:
MFCD09712503
IUPAC Name:
3-bromo-4-(2-piperidin-1-ylethoxy)benzaldehyde
InChI:
InChI=1S/C14H18BrNO2/c15-13-10-12(11-17)4-5-14(13)18-9-8-16-6-2-1-3-7-16/h4-5,10-11H,1-3,6-9H2
InChI Key:
LYMCTSKYDFSRQS-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Br)OCCN1CCCCC1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.207g/mol
Monoisotopic Mass:
311.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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