Home Halogens Benzeneacetic acid, a-amino-3,4-dichloro-, methylester

Benzeneacetic acid, a-amino-3,4-dichloro-, methylester

CAS No.:
185110-25-2
Catalog Number:
AG0074M3
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
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Product Description
Catalog Number:
AG0074M3
Chemical Name:
Benzeneacetic acid, a-amino-3,4-dichloro-, methylester
CAS Number:
185110-25-2
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD04972504
IUPAC Name:
methyl 2-amino-2-(3,4-dichlorophenyl)acetate
InChI:
InChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3
InChI Key:
LKSNQOTUSKXUBR-UHFFFAOYSA-N
SMILES:
COC(=O)CNc1ccc(c(c1)Cl)Cl
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.001g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties