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101937-44-4 | Propanedioic acid, 2-[[(4-bromophenyl)amino]methylene]-, 1,3-diethyl ester
CAS No: 101937-44-4 Catalog No: AG00060J MDL No:MFCD00173358
Product Description
Catalog Number:
AG00060J
Chemical Name:
Propanedioic acid, 2-[[(4-bromophenyl)amino]methylene]-, 1,3-diethyl ester
CAS Number:
101937-44-4
Molecular Formula:
C14H16BrNO4
Molecular Weight:
342.1851
MDL Number:
MFCD00173358
IUPAC Name:
diethyl 2-[(4-bromoanilino)methylidene]propanedioate
InChI:
InChI=1S/C14H16BrNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,16H,3-4H2,1-2H3
InChI Key:
CZRWKFPNRGCSND-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CNc1ccc(cc1)Br)C(=O)OCC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.026g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.189g/mol
Monoisotopic Mass:
341.026g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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