Home Halogens methyl 2-(2-chloroacetamido)-3-methylpentanoate

methyl 2-(2-chloroacetamido)-3-methylpentanoate

CAS No.:
102115-69-5
Catalog Number:
AG01ELTH
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
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Product Description
Catalog Number:
AG01ELTH
Chemical Name:
methyl 2-(2-chloroacetamido)-3-methylpentanoate
CAS Number:
102115-69-5
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
MDL Number:
MFCD00548262
IUPAC Name:
methyl 2-[(2-chloroacetyl)amino]-3-methylpentanoate
InChI:
InChI=1S/C9H16ClNO3/c1-4-6(2)8(9(13)14-3)11-7(12)5-10/h6,8H,4-5H2,1-3H3,(H,11,12)
InChI Key:
OKGVNNSSLBGHND-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(C(=O)OC)C(CC)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.681g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties