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19813-45-7 | Benzeneethanimidic acid, N-phenyl-, methyl ester
CAS No: 19813-45-7 Catalog No: AG002BAY MDL No:
Product Description
Catalog Number:
AG002BAY
Chemical Name:
Benzeneethanimidic acid, N-phenyl-, methyl ester
CAS Number:
19813-45-7
Molecular Formula:
C15H15NO
Molecular Weight:
225.2857
IUPAC Name:
methyl N,2-diphenylethanimidate
InChI:
InChI=1S/C15H15NO/c1-17-15(12-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChI Key:
HDLCPMLXTGVJLX-UHFFFAOYSA-N
SMILES:
COC(=Nc1ccccc1)Cc1ccccc1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.291g/mol
Monoisotopic Mass:
225.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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