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116284-34-5 | 2-Propenoic acid, 2-[(2-chloroacetyl)amino]-, methyl ester
CAS No: 116284-34-5 Catalog No: AG000C45 MDL No:
Product Description
Catalog Number:
AG000C45
Chemical Name:
2-Propenoic acid, 2-[(2-chloroacetyl)amino]-, methyl ester
CAS Number:
116284-34-5
Molecular Formula:
C6H8ClNO3
Molecular Weight:
177.5856
IUPAC Name:
methyl 2-[(2-chloroacetyl)amino]prop-2-enoate
InChI:
InChI=1S/C6H8ClNO3/c1-4(6(10)11-2)8-5(9)3-7/h1,3H2,2H3,(H,8,9)
InChI Key:
BYVJOWNWIDLWIR-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(=C)C(=O)OC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.584g/mol
Monoisotopic Mass:
177.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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