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Home Halogens 2-Butenoic acid, 4-[(4-bromo-2-methylphenyl)amino]-4-oxo-

2-Butenoic acid, 4-[(4-bromo-2-methylphenyl)amino]-4-oxo-

CAS No.:
175205-16-0
Catalog Number:
AG0020N7
Molecular Formula:
C11H10BrNO3
Molecular Weight:
284.1060
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Product Description
Catalog Number:
AG0020N7
Chemical Name:
2-Butenoic acid, 4-[(4-bromo-2-methylphenyl)amino]-4-oxo-
CAS Number:
175205-16-0
Molecular Formula:
C11H10BrNO3
Molecular Weight:
284.1060
MDL Number:
MFCD00027403
IUPAC Name:
4-(4-bromo-2-methylanilino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C11H10BrNO3/c1-7-6-8(12)2-3-9(7)13-10(14)4-5-11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChI Key:
VPTIHMBAMCSGKL-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1C)Br)C=CC(=O)O
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.984g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
284.109g/mol
Monoisotopic Mass:
282.984g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.8  
Properties