sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos 3-[(3-Chloro-2-methylphenyl)amino]-3-oxopropanoic acid

3-[(3-Chloro-2-methylphenyl)amino]-3-oxopropanoic acid

CAS No.:
78096-13-6
Catalog Number:
AG008NIY
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
Product Description
Catalog Number:
AG008NIY
Chemical Name:
3-[(3-Chloro-2-methylphenyl)amino]-3-oxopropanoic acid
CAS Number:
78096-13-6
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
MDL Number:
MFCD08691698
IUPAC Name:
3-(3-chloro-2-methylanilino)-3-oxopropanoic acid
InChI:
InChI=1S/C10H10ClNO3/c1-6-7(11)3-2-4-8(6)12-9(13)5-10(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
VVNXMYXMBHDKSD-UHFFFAOYSA-N
SMILES:
Cc1c(NC(=O)CC(=O)O)cccc1Cl
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.644g/mol
Monoisotopic Mass:
227.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties