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101561-13-1 | 2-Butenoic acid, 3-[2-(3-chlorobenzoyl)diazenyl]-, methyl ester
CAS No: 101561-13-1 Catalog No: AG0004SF MDL No:
Product Description
Catalog Number:
AG0004SF
Chemical Name:
2-Butenoic acid, 3-[2-(3-chlorobenzoyl)diazenyl]-, methyl ester
CAS Number:
101561-13-1
Molecular Formula:
C12H11ClN2O3
Molecular Weight:
266.6803
IUPAC Name:
methyl 3-[(3-chlorobenzoyl)diazenyl]but-2-enoate
InChI:
InChI=1S/C12H11ClN2O3/c1-8(6-11(16)18-2)14-15-12(17)9-4-3-5-10(13)7-9/h3-7H,1-2H3
InChI Key:
LHLLGRRHOIYSJL-UHFFFAOYSA-N
SMILES:
COC(=O)C=C(N=NC(=O)c1cccc(c1)Cl)C
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.681g/mol
Monoisotopic Mass:
266.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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