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Home > Aldehydes > 179056-02-1
179056-02-1 | Benzaldehyde, 3-(1-methyl-1H-tetrazol-5-yl)-
CAS No: 179056-02-1 Catalog No: AG0026QZ MDL No:
Product Description
Catalog Number:
AG0026QZ
Chemical Name:
Benzaldehyde, 3-(1-methyl-1H-tetrazol-5-yl)-
CAS Number:
179056-02-1
Molecular Formula:
C9H8N4O
Molecular Weight:
188.1860
IUPAC Name:
3-(1-methyltetrazol-5-yl)benzaldehyde
InChI:
InChI=1S/C9H8N4O/c1-13-9(10-11-12-13)8-4-2-3-7(5-8)6-14/h2-6H,1H3
InChI Key:
BROLZTCJAAWYNN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nnnn1C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.07g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.19g/mol
Monoisotopic Mass:
188.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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