Home Halogens ethyl 2-amino-4-chloropent-4-enoate

ethyl 2-amino-4-chloropent-4-enoate

CAS No.:
2044713-50-8
Catalog Number:
AG01BXOG
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
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Product Description
Catalog Number:
AG01BXOG
Chemical Name:
ethyl 2-amino-4-chloropent-4-enoate
CAS Number:
2044713-50-8
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
IUPAC Name:
ethyl 2-amino-4-chloropent-4-enoate
InChI:
InChI=1S/C7H12ClNO2/c1-3-11-7(10)6(9)4-5(2)8/h6H,2-4,9H2,1H3
InChI Key:
ZFQRLLZEKHMAQH-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(CC(=C)Cl)N
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties