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Home > Aldehydes > 921630-62-8
921630-62-8 | Benzaldehyde, 4-[3-(2-chloro-3,6-difluorophenoxy)propyl]-
CAS No: 921630-62-8 Catalog No: AG006H8J MDL No:
Product Description
Catalog Number:
AG006H8J
Chemical Name:
Benzaldehyde, 4-[3-(2-chloro-3,6-difluorophenoxy)propyl]-
CAS Number:
921630-62-8
Molecular Formula:
C16H13ClF2O2
Molecular Weight:
310.7230
IUPAC Name:
4-[3-(2-chloro-3,6-difluorophenoxy)propyl]benzaldehyde
InChI:
InChI=1S/C16H13ClF2O2/c17-15-13(18)7-8-14(19)16(15)21-9-1-2-11-3-5-12(10-20)6-4-11/h3-8,10H,1-2,9H2
InChI Key:
WQSSAHCNEKHCOV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)CCCOc1c(F)ccc(c1Cl)F
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.725g/mol
Monoisotopic Mass:
310.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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