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1272758-28-7 | 1H-Indene-2-carboxylic acid, 2-amino-5-fluoro-2,3-dihydro-, ethyl ester, hydrochloride (1:1)
CAS No: 1272758-28-7 Catalog No: AG000WVH MDL No:
Product Description
Catalog Number:
AG000WVH
Chemical Name:
1H-Indene-2-carboxylic acid, 2-amino-5-fluoro-2,3-dihydro-, ethyl ester, hydrochloride (1:1)
CAS Number:
1272758-28-7
Molecular Formula:
C12H15ClFNO2
Molecular Weight:
259.7044
IUPAC Name:
ethyl 2-amino-5-fluoro-1,3-dihydroindene-2-carboxylate;hydrochloride
InChI:
InChI=1S/C12H14FNO2.ClH/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12;/h3-5H,2,6-7,14H2,1H3;1H
InChI Key:
PTWVTLFWGYWFPR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(N)Cc2c(C1)ccc(c2)F.Cl
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.705g/mol
Monoisotopic Mass:
259.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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