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Home > Aldehydes > 838840-00-9
838840-00-9 | Benzaldehyde, 4-methoxy-3-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-
CAS No: 838840-00-9 Catalog No: AG00544N MDL No:
Product Description
Catalog Number:
AG00544N
Chemical Name:
Benzaldehyde, 4-methoxy-3-[5-(trifluoromethyl)-1H-tetrazol-1-yl]-
CAS Number:
838840-00-9
Molecular Formula:
C10H7F3N4O2
Molecular Weight:
272.1834
IUPAC Name:
4-methoxy-3-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde
InChI:
InChI=1S/C10H7F3N4O2/c1-19-8-3-2-6(5-18)4-7(8)17-9(10(11,12)13)14-15-16-17/h2-5H,1H3
InChI Key:
CUBHTBKFUPYNSU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1n1nnnc1C(F)(F)F)C=O
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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