Home Halogens 2-{[(3-chlorophenyl)carbamoyl]amino}acetic acid

2-{[(3-chlorophenyl)carbamoyl]amino}acetic acid

CAS No.:
501074-67-5
Catalog Number:
AG019PYV
Molecular Formula:
C9H9ClN2O3
Molecular Weight:
228.6324
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Product Description
Catalog Number:
AG019PYV
Chemical Name:
2-{[(3-chlorophenyl)carbamoyl]amino}acetic acid
CAS Number:
501074-67-5
Molecular Formula:
C9H9ClN2O3
Molecular Weight:
228.6324
MDL Number:
MFCD01105184
IUPAC Name:
2-[(3-chlorophenyl)carbamoylamino]acetic acid
InChI:
InChI=1S/C9H9ClN2O3/c10-6-2-1-3-7(4-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)
InChI Key:
QRGLZLOJYCGGBN-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)NCC(=O)O
NSC Number:
193424
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
228.632g/mol
Monoisotopic Mass:
228.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties