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874784-10-8

874784-10-8 | 5-(3-Bromo-4-fluorophenyl)-2H-tetrazole

CAS No: 874784-10-8 Catalog No: AG004EPG MDL No:MFCD04035677

Product Description

Catalog Number:
AG004EPG
Chemical Name:
5-(3-Bromo-4-fluorophenyl)-2H-tetrazole
CAS Number:
874784-10-8
Molecular Formula:
C7H4BrFN4
Molecular Weight:
243.0359
MDL Number:
MFCD04035677
IUPAC Name:
5-(3-bromo-4-fluorophenyl)-2H-tetrazole
InChI:
InChI=1S/C7H4BrFN4/c8-5-3-4(1-2-6(5)9)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChI Key:
PTGKEXZJIQANKQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Br)c1n[nH]nn1

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.96g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.039g/mol
Monoisotopic Mass:
241.96g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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