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Home > Aldehydes > 168267-11-6
168267-11-6 | Benzaldehyde, 2-methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-
CAS No: 168267-11-6 Catalog No: AG001XYK MDL No:
Product Description
Catalog Number:
AG001XYK
Chemical Name:
Benzaldehyde, 2-methoxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-
CAS Number:
168267-11-6
Molecular Formula:
C10H7F3N4O2
Molecular Weight:
272.1834
IUPAC Name:
2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde
InChI:
InChI=1S/C10H7F3N4O2/c1-19-8-3-2-7(4-6(8)5-18)17-9(10(11,12)13)14-15-16-17/h2-5H,1H3
InChI Key:
YQNRPEFJKQVSNX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1OC)n1nnnc1C(F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.187g/mol
Monoisotopic Mass:
272.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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