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1000567-55-4 | 2-Pyridineacetic acid, 4-chloro-
CAS No: 1000567-55-4 Catalog No: AG0000Q3 MDL No:MFCD09925237
Product Description
Catalog Number:
AG0000Q3
Chemical Name:
2-Pyridineacetic acid, 4-chloro-
CAS Number:
1000567-55-4
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD09925237
IUPAC Name:
2-(4-chloropyridin-2-yl)acetic acid
InChI:
InChI=1S/C7H6ClNO2/c8-5-1-2-9-6(3-5)4-7(10)11/h1-3H,4H2,(H,10,11)
InChI Key:
VIROCCWDLDCQNI-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(Cl)ccn1
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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