Home Aldehydes 5-Chloro-2-(1H-tetrazol-1-yl)benzaldehyde

5-Chloro-2-(1H-tetrazol-1-yl)benzaldehyde

CAS No.:
879016-22-5
Catalog Number:
AG008CBG
Molecular Formula:
C8H5ClN4O
Molecular Weight:
208.6045
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Product Description
Catalog Number:
AG008CBG
Chemical Name:
5-Chloro-2-(1H-tetrazol-1-yl)benzaldehyde
CAS Number:
879016-22-5
Molecular Formula:
C8H5ClN4O
Molecular Weight:
208.6045
MDL Number:
MFCD09031766
IUPAC Name:
5-chloro-2-(tetrazol-1-yl)benzaldehyde
InChI:
InChI=1S/C8H5ClN4O/c9-7-1-2-8(6(3-7)4-14)13-5-10-11-12-13/h1-5H
InChI Key:
JYIIRAPFQHKOOC-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1n1cnnn1
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.015g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.605g/mol
Monoisotopic Mass:
208.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties