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13096-90-7 | 3H-Indazole, 6-chloro-3-diazo-
CAS No: 13096-90-7 Catalog No: AG000V6C MDL No:
Product Description
Catalog Number:
AG000V6C
Chemical Name:
3H-Indazole, 6-chloro-3-diazo-
CAS Number:
13096-90-7
Molecular Formula:
C7H3ClN4
Molecular Weight:
178.5785
IUPAC Name:
6-chloro-3-diazoindazole
InChI:
InChI=1S/C7H3ClN4/c8-4-1-2-5-6(3-4)11-12-7(5)10-9/h1-3H
InChI Key:
YXHLSCOIHMUMAL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1N=Nc2c1ccc(c2)Cl
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.579g/mol
Monoisotopic Mass:
178.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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