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13698-14-1 | Propanoic acid, 2-chloro-3-[(ethoxycarbonyl)amino]-, methyl ester
CAS No: 13698-14-1 Catalog No: AG0012MN MDL No:
Product Description
Catalog Number:
AG0012MN
Chemical Name:
Propanoic acid, 2-chloro-3-[(ethoxycarbonyl)amino]-, methyl ester
CAS Number:
13698-14-1
Molecular Formula:
C7H12ClNO4
Molecular Weight:
209.6275
IUPAC Name:
methyl 2-chloro-3-(ethoxycarbonylamino)propanoate
InChI:
InChI=1S/C7H12ClNO4/c1-3-13-7(11)9-4-5(8)6(10)12-2/h5H,3-4H2,1-2H3,(H,9,11)
InChI Key:
QAZUXZHSDGYINJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCC(C(=O)OC)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.626g/mol
Monoisotopic Mass:
209.045g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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