Home Nitros 2-(6-nitro-1H-indazol-1-yl)acetic acid

2-(6-nitro-1H-indazol-1-yl)acetic acid

CAS No.:
857801-04-8
Catalog Number:
AG019NCW
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
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Product Description
Catalog Number:
AG019NCW
Chemical Name:
2-(6-nitro-1H-indazol-1-yl)acetic acid
CAS Number:
857801-04-8
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD09805059
IUPAC Name:
2-(6-nitroindazol-1-yl)acetic acid
InChI:
InChI=1S/C9H7N3O4/c13-9(14)5-11-8-3-7(12(15)16)2-1-6(8)4-10-11/h1-4H,5H2,(H,13,14)
InChI Key:
PDPCLJQBZJYUNV-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ncc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties