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885278-31-9 | 2H-Tetrazole,5-[(2-chlorophenyl)methyl]-
CAS No: 885278-31-9 Catalog No: AG0045V9 MDL No:MFCD06796169
Product Description
Catalog Number:
AG0045V9
Chemical Name:
2H-Tetrazole,5-[(2-chlorophenyl)methyl]-
CAS Number:
885278-31-9
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
MDL Number:
MFCD06796169
IUPAC Name:
5-[(2-chlorophenyl)methyl]-2H-tetrazole
InChI:
InChI=1S/C8H7ClN4/c9-7-4-2-1-3-6(7)5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChI Key:
ALQLKFGPPVBJNK-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Cc1n[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:
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:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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