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116341-62-9 | Acetic acid, 2-chloro-2-(phenylimino)-, methyl ester
CAS No: 116341-62-9 Catalog No: AG000C8Q MDL No:
Product Description
Catalog Number:
AG000C8Q
Chemical Name:
Acetic acid, 2-chloro-2-(phenylimino)-, methyl ester
CAS Number:
116341-62-9
Molecular Formula:
C9H8ClNO2
Molecular Weight:
197.6183
IUPAC Name:
methyl 2-chloro-2-phenyliminoacetate
InChI:
InChI=1S/C9H8ClNO2/c1-13-9(12)8(10)11-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
NBTRSMXWGHDFCO-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Nc1ccccc1)Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.618g/mol
Monoisotopic Mass:
197.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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