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175205-13-7 | 2H-Tetrazole, 5-(2-chloro-6-methylphenyl)-
CAS No: 175205-13-7 Catalog No: AG0020NA MDL No:
Product Description
Catalog Number:
AG0020NA
Chemical Name:
2H-Tetrazole, 5-(2-chloro-6-methylphenyl)-
CAS Number:
175205-13-7
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
IUPAC Name:
5-(2-chloro-6-methylphenyl)-2H-tetrazole
InChI:
InChI=1S/C8H7ClN4/c1-5-3-2-4-6(9)7(5)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13)
InChI Key:
VXEOPRWNDWAALL-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1c1nn[nH]n1)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.622g/mol
Monoisotopic Mass:
194.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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