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Home > Aldehydes > 219539-02-3
219539-02-3 | Benzaldehyde,2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-5-nitro-
CAS No: 219539-02-3 Catalog No: AG006YFZ MDL No:MFCD00117040
Product Description
Catalog Number:
AG006YFZ
Chemical Name:
Benzaldehyde,2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-5-nitro-
CAS Number:
219539-02-3
Molecular Formula:
C16H12ClNO6
Molecular Weight:
349.7226
MDL Number:
MFCD00117040
IUPAC Name:
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-5-nitrobenzaldehyde
InChI:
InChI=1S/C16H12ClNO6/c17-13-3-11-7-22-9-24-16(11)12(4-13)8-23-15-2-1-14(18(20)21)5-10(15)6-19/h1-6H,7-9H2
InChI Key:
ZTYMPPYITZUTDB-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OCc1cc(Cl)cc2c1OCOC2)[N+](=O)[O-]
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.035g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.723g/mol
Monoisotopic Mass:
349.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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