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Home > Aldehydes > 819076-63-6
819076-63-6 | Benzaldehyde, 3-nitro-4-[[4-[(trifluoromethyl)thio]phenyl]methoxy]-
CAS No: 819076-63-6 Catalog No: AG004ZXL MDL No:
Product Description
Catalog Number:
AG004ZXL
Chemical Name:
Benzaldehyde, 3-nitro-4-[[4-[(trifluoromethyl)thio]phenyl]methoxy]-
CAS Number:
819076-63-6
Molecular Formula:
C15H10F3NO4S
Molecular Weight:
357.3044
IUPAC Name:
3-nitro-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]benzaldehyde
InChI:
InChI=1S/C15H10F3NO4S/c16-15(17,18)24-12-4-1-10(2-5-12)9-23-14-6-3-11(8-20)7-13(14)19(21)22/h1-8H,9H2
InChI Key:
DUCCJHRWDRCXOJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)SC(F)(F)F
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.028g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.303g/mol
Monoisotopic Mass:
357.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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