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133118-49-7 | Benzenecarboximidic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)
CAS No: 133118-49-7 Catalog No: AG0014AF MDL No:
Product Description
Catalog Number:
AG0014AF
Chemical Name:
Benzenecarboximidic acid, 3-fluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
133118-49-7
Molecular Formula:
C8H9ClFNO
Molecular Weight:
189.6146
IUPAC Name:
methyl 3-fluorobenzenecarboximidate;hydrochloride
InChI:
InChI=1S/C8H8FNO.ClH/c1-11-8(10)6-3-2-4-7(9)5-6;/h2-5,10H,1H3;1H
InChI Key:
NSFKWJNEGPORNC-UHFFFAOYSA-N
SMILES:
COC(=N)c1cccc(c1)F.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.614g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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