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885044-48-4 | (E)-2-METHYL-BUT-2-ENOIC ACID (3-CHLORO-5-HYDROXYPHENYL)AMIDE
CAS No: 885044-48-4 Catalog No: AG00489W MDL No:
Product Description
Catalog Number:
AG00489W
Chemical Name:
(E)-2-METHYL-BUT-2-ENOIC ACID (3-CHLORO-5-HYDROXYPHENYL)AMIDE
CAS Number:
885044-48-4
Molecular Formula:
C11H12ClNO2
Molecular Weight:
225.6715
IUPAC Name:
N-(3-chloro-5-hydroxyphenyl)-2-methylbut-2-enamide
InChI:
InChI=1S/C11H12ClNO2/c1-3-7(2)11(15)13-9-4-8(12)5-10(14)6-9/h3-6,14H,1-2H3,(H,13,15)
InChI Key:
IXDCMBXEDAJVRE-UHFFFAOYSA-N
SMILES:
C/C=C(/C(=O)Nc1cc(O)cc(c1)Cl)\C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.672g/mol
Monoisotopic Mass:
225.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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