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1260812-63-2 | Benzoic acid, 4-amino-2-fluoro-5-iodo-, methyl ester
CAS No: 1260812-63-2 Catalog No: AG000RCL MDL No:
Product Description
Catalog Number:
AG000RCL
Chemical Name:
Benzoic acid, 4-amino-2-fluoro-5-iodo-, methyl ester
CAS Number:
1260812-63-2
Molecular Formula:
C8H7FINO2
Molecular Weight:
295.0496
IUPAC Name:
methyl 4-amino-2-fluoro-5-iodobenzoate
InChI:
InChI=1S/C8H7FINO2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,11H2,1H3
InChI Key:
CIJQZXFORFBFPX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(I)c(cc1F)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.052g/mol
Monoisotopic Mass:
294.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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