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1000342-31-3 | 1H-Indazole-3-carboxylic acid, 6-chloro-4-nitro-, methyl ester
CAS No: 1000342-31-3 Catalog No: AG0000IL MDL No:
Product Description
Catalog Number:
AG0000IL
Chemical Name:
1H-Indazole-3-carboxylic acid, 6-chloro-4-nitro-, methyl ester
CAS Number:
1000342-31-3
Molecular Formula:
C9H6ClN3O4
Molecular Weight:
255.6146
IUPAC Name:
methyl 6-chloro-4-nitro-1H-indazole-3-carboxylate
InChI:
InChI=1S/C9H6ClN3O4/c1-17-9(14)8-7-5(11-12-8)2-4(10)3-6(7)13(15)16/h2-3H,1H3,(H,11,12)
InChI Key:
DVGFNAXOGLXOLG-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1c(cc(c2)Cl)[N+](=O)[O-]
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.614g/mol
Monoisotopic Mass:
255.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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