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114479-33-3 | Glycine, N-[(4-chlorophenyl)methyl]-
CAS No: 114479-33-3 Catalog No: AG000EI8 MDL No:MFCD03450369
Product Description
Catalog Number:
AG000EI8
Chemical Name:
Glycine, N-[(4-chlorophenyl)methyl]-
CAS Number:
114479-33-3
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD03450369
IUPAC Name:
2-[(4-chlorophenyl)methylamino]acetic acid
InChI:
InChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChI Key:
AEUCLXJGFMJQMP-UHFFFAOYSA-N
SMILES:
OC(=O)CNCc1ccc(cc1)Cl
Properties
Complexity:
167
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:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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