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1810070-00-8 | 1-Naphthalenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1)
CAS No: 1810070-00-8 Catalog No: AG0022KA MDL No:
Product Description
Catalog Number:
AG0022KA
Chemical Name:
1-Naphthalenepropanoic acid, β-amino-4-fluoro-, hydrochloride (1:1)
CAS Number:
1810070-00-8
Molecular Formula:
C13H13ClFNO2
Molecular Weight:
269.6992
IUPAC Name:
3-amino-3-(4-fluoronaphthalen-1-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C13H12FNO2.ClH/c14-11-6-5-10(12(15)7-13(16)17)8-3-1-2-4-9(8)11;/h1-6,12H,7,15H2,(H,16,17);1H
InChI Key:
UEXQFINGQDQACH-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(c2c1cccc2)F)N.Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
269.7g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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