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Home > Aldehydes > 136689-94-6
136689-94-6 | Benzaldehyde, 3-(2H-tetrazol-5-yl)-
CAS No: 136689-94-6 Catalog No: AG00127N MDL No:MFCD18064602
Product Description
Catalog Number:
AG00127N
Chemical Name:
Benzaldehyde, 3-(2H-tetrazol-5-yl)-
CAS Number:
136689-94-6
Molecular Formula:
C8H6N4O
Molecular Weight:
174.1594
MDL Number:
MFCD18064602
IUPAC Name:
3-(2H-tetrazol-5-yl)benzaldehyde
InChI:
InChI=1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
InChI Key:
GWZICMAGCVWLAY-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1n[nH]nn1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.163g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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