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161154-16-1 | Tetrazolo[1,5-a]quinoxalin-4(5H)-one, 7-chloro-
CAS No: 161154-16-1 Catalog No: AG001S7F MDL No:MFCD12032156
Product Description
Catalog Number:
AG001S7F
Chemical Name:
Tetrazolo[1,5-a]quinoxalin-4(5H)-one, 7-chloro-
CAS Number:
161154-16-1
Molecular Formula:
C8H4ClN5O
Molecular Weight:
221.6033
MDL Number:
MFCD12032156
IUPAC Name:
7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-one
InChI:
InChI=1S/C8H4ClN5O/c9-4-1-2-6-5(3-4)10-8(15)7-11-12-13-14(6)7/h1-3H,(H,10,15)
InChI Key:
NLRTTWFBCBNVRX-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]c(=O)c1n2nnn1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.604g/mol
Monoisotopic Mass:
221.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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