Home Halogens (3,4-Dichloro-benzylaMino)-acetic acid

(3,4-Dichloro-benzylaMino)-acetic acid

CAS No.:
261959-65-3
Catalog Number:
AG00CGZ5
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
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Product Description
Catalog Number:
AG00CGZ5
Chemical Name:
(3,4-Dichloro-benzylaMino)-acetic acid
CAS Number:
261959-65-3
Molecular Formula:
C9H9Cl2NO2
Molecular Weight:
234.0793
MDL Number:
MFCD11139130
IUPAC Name:
2-[(3,4-dichlorophenyl)methylamino]acetic acid
InChI:
InChI=1S/C9H9Cl2NO2/c10-7-2-1-6(3-8(7)11)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChI Key:
NVBIZGJYFBBRBO-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
201  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
234.076g/mol
Monoisotopic Mass:
233.001g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties