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127566-18-1 | 1(6H)-Pyridazineacetic acid, 3-chloro-6-imino-
CAS No: 127566-18-1 Catalog No: AG000X62 MDL No:
Product Description
Catalog Number:
AG000X62
Chemical Name:
1(6H)-Pyridazineacetic acid, 3-chloro-6-imino-
CAS Number:
127566-18-1
Molecular Formula:
C6H6ClN3O2
Molecular Weight:
187.5837
IUPAC Name:
2-(3-chloro-6-iminopyridazin-1-yl)acetic acid
InChI:
InChI=1S/C6H6ClN3O2/c7-4-1-2-5(8)10(9-4)3-6(11)12/h1-2,8H,3H2,(H,11,12)
InChI Key:
KYALFIKYRHGFQH-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(Cl)ccc1=N
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.583g/mol
Monoisotopic Mass:
187.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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