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1251456-87-7 | 2-Propenamide, N-(2-chloro-4-formyl-5-methoxyphenyl)-
CAS No: 1251456-87-7 Catalog No: AG000N94 MDL No:MFCD29059080
Product Description
Catalog Number:
AG000N94
Chemical Name:
2-Propenamide, N-(2-chloro-4-formyl-5-methoxyphenyl)-
CAS Number:
1251456-87-7
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
MDL Number:
MFCD29059080
IUPAC Name:
N-(2-chloro-4-formyl-5-methoxyphenyl)prop-2-enamide
InChI:
InChI=1S/C11H10ClNO3/c1-3-11(15)13-9-5-10(16-2)7(6-14)4-8(9)12/h3-6H,1H2,2H3,(H,13,15)
InChI Key:
KWETWUODKYSYSJ-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1cc(OC)c(cc1Cl)C=O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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