Home Other Building Blocks 5-(3,4-DICHLOROPHENYL)-1H-TETRAZOLE

5-(3,4-DICHLOROPHENYL)-1H-TETRAZOLE

CAS No.:
41421-27-6
Catalog Number:
AG003M49
Molecular Formula:
C7H4Cl2N4
Molecular Weight:
215.0395
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Product Description
Catalog Number:
AG003M49
Chemical Name:
5-(3,4-DICHLOROPHENYL)-1H-TETRAZOLE
CAS Number:
41421-27-6
Molecular Formula:
C7H4Cl2N4
Molecular Weight:
215.0395
MDL Number:
MFCD01075710
IUPAC Name:
5-(3,4-dichlorophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H4Cl2N4/c8-5-2-1-4(3-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:
SPKVZXBNWCKHGR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)c1nnn[nH]1
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.981g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.037g/mol
Monoisotopic Mass:
213.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties