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68208-21-9 | 3-Amino-3-(3-chlorophenyl)propanoic acid
CAS No: 68208-21-9 Catalog No: AG003IUR MDL No:MFCD00463160
Product Description
Catalog Number:
AG003IUR
Chemical Name:
3-Amino-3-(3-chlorophenyl)propanoic acid
CAS Number:
68208-21-9
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD00463160
IUPAC Name:
3-amino-3-(3-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H10ClNO2/c10-7-3-1-2-6(4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChI Key:
LIDRHPCWOYOBIZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc(c1)Cl)N
Properties
Complexity:
187
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:
-1.3
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