Home Halogens 5-(3-bromo-4-chlorophenyl)-1H-tetrazole

5-(3-bromo-4-chlorophenyl)-1H-tetrazole

CAS No.:
1432023-53-4
Catalog Number:
AG01EL87
Molecular Formula:
C7H4BrClN4
Molecular Weight:
259.4905
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Product Description
Catalog Number:
AG01EL87
Chemical Name:
5-(3-bromo-4-chlorophenyl)-1H-tetrazole
CAS Number:
1432023-53-4
Molecular Formula:
C7H4BrClN4
Molecular Weight:
259.4905
MDL Number:
MFCD24231505
IUPAC Name:
5-(3-bromo-4-chlorophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H4BrClN4/c8-5-3-4(1-2-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:
QLGGHQDDBCDJDG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Br)c1nnn[nH]1
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.931g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.491g/mol
Monoisotopic Mass:
257.931g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties