Home Halogens 2H-Tetrazole,5-[(3-bromophenyl)methyl]-

2H-Tetrazole,5-[(3-bromophenyl)methyl]-

CAS No.:
885278-46-6
Catalog Number:
AG0089AO
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0089AO
Chemical Name:
2H-Tetrazole,5-[(3-bromophenyl)methyl]-
CAS Number:
885278-46-6
Molecular Formula:
C8H7BrN4
Molecular Weight:
239.0720
MDL Number:
MFCD19204801
IUPAC Name:
5-[(3-bromophenyl)methyl]-2H-tetrazole
InChI:
InChI=1S/C8H7BrN4/c9-7-3-1-2-6(4-7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChI Key:
UQRMUMBBOOAEJT-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Cc1n[nH]nn1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.076g/mol
Monoisotopic Mass:
237.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties