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1368525-24-9

1368525-24-9 | 2H-Tetrazole-5-carboxylic acid, 2-(2-chlorophenyl)-

CAS No: 1368525-24-9 Catalog No: AG0012GJ MDL No:MFCD21887598

Product Description

Catalog Number:
AG0012GJ
Chemical Name:
2H-Tetrazole-5-carboxylic acid, 2-(2-chlorophenyl)-
CAS Number:
1368525-24-9
Molecular Formula:
C8H5ClN4O2
Molecular Weight:
224.6039
MDL Number:
MFCD21887598
IUPAC Name:
2-(2-chlorophenyl)tetrazole-5-carboxylic acid
InChI:
InChI=1S/C8H5ClN4O2/c9-5-3-1-2-4-6(5)13-11-7(8(14)15)10-12-13/h1-4H,(H,14,15)
InChI Key:
OEALLFQYQSFVQA-UHFFFAOYSA-N
SMILES:
Clc1ccccc1n1nnc(n1)C(=O)O

Properties

Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.604g/mol
Monoisotopic Mass:
224.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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