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1023307-42-7 | 4-Pyridazinecarboxylic acid, 3-chloro-
CAS No: 1023307-42-7 Catalog No: AG00077I MDL No:MFCD13193443
Product Description
Catalog Number:
AG00077I
Chemical Name:
4-Pyridazinecarboxylic acid, 3-chloro-
CAS Number:
1023307-42-7
Molecular Formula:
C5H3ClN2O2
Molecular Weight:
158.5425
MDL Number:
MFCD13193443
IUPAC Name:
3-chloropyridazine-4-carboxylic acid
InChI:
InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H,9,10)
InChI Key:
DIIPMDIMBLOAHA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnnc1Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.541g/mol
Monoisotopic Mass:
157.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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