Home Other Building Blocks 2-Chloro-5-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Benzoic Acid

2-Chloro-5-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Benzoic Acid

CAS No.:
524712-41-2
Catalog Number:
AG01DIAE
Molecular Formula:
C10H6ClN3O4
Molecular Weight:
267.6253
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Product Description
Catalog Number:
AG01DIAE
Chemical Name:
2-Chloro-5-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Benzoic Acid
CAS Number:
524712-41-2
Molecular Formula:
C10H6ClN3O4
Molecular Weight:
267.6253
MDL Number:
MFCD11043645
IUPAC Name:
2-chloro-5-(3,5-dioxo-1,2,4-triazin-2-yl)benzoic acid
InChI:
InChI=1S/C10H6ClN3O4/c11-7-2-1-5(3-6(7)9(16)17)14-10(18)13-8(15)4-12-14/h1-4H,(H,16,17)(H,13,15,18)
InChI Key:
PLVVNHOUDKRXOX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1Cl)n1ncc(=O)[nH]c1=O
Properties
Complexity:
425  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.005g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.625g/mol
Monoisotopic Mass:
267.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties