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192642-96-9 | 2-Pyridineacetic acid, 5-bromo-, hydrochloride (1:1)
CAS No: 192642-96-9 Catalog No: AG002G69 MDL No:MFCD11100718
Product Description
Catalog Number:
AG002G69
Chemical Name:
2-Pyridineacetic acid, 5-bromo-, hydrochloride (1:1)
CAS Number:
192642-96-9
Molecular Formula:
C7H7BrClNO2
Molecular Weight:
252.4930
MDL Number:
MFCD11100718
IUPAC Name:
2-(5-bromopyridin-2-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C7H6BrNO2.ClH/c8-5-1-2-6(9-4-5)3-7(10)11;/h1-2,4H,3H2,(H,10,11);1H
InChI Key:
UKCMZTWJKONCLC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cn1)Br.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.492g/mol
Monoisotopic Mass:
250.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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