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Home Halogens 3-Amino-3-(4-chlorophenyl)propanoic acid

3-Amino-3-(4-chlorophenyl)propanoic acid

CAS No.:
19947-39-8
Catalog Number:
AG002C52
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$54
- +
25g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG002C52
Chemical Name:
3-Amino-3-(4-chlorophenyl)propanoic acid
CAS Number:
19947-39-8
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD00126370
IUPAC Name:
3-amino-3-(4-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key:
BXGDBHAMTMMNTO-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)Cl)CC(=O)O
NSC Number:
400947
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Literature
Title Journal
(2-{[2-Carboxyl-ato-1-(4-chloro-phen-yl)eth-yl]imino-meth-yl}phenolato-κO,N,O')(1H-imidazole-κN)copper(II) monohydrate. Acta crystallographica. Section E, Structure reports online 20100501
Properties