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1181696-85-4 | [(4-Chloro-benzyl)-cyclopropyl-amino]-acetic acid
CAS No: 1181696-85-4 Catalog No: AG01F96O MDL No:
Product Description
Catalog Number:
AG01F96O
Chemical Name:
[(4-Chloro-benzyl)-cyclopropyl-amino]-acetic acid
CAS Number:
1181696-85-4
Molecular Formula:
C12H14ClNO2
Molecular Weight:
239.6981
IUPAC Name:
2-[(4-chlorophenyl)methyl-cyclopropylamino]acetic acid
InChI:
InChI=1S/C12H14ClNO2/c13-10-3-1-9(2-4-10)7-14(8-12(15)16)11-5-6-11/h1-4,11H,5-8H2,(H,15,16)
InChI Key:
WPBUITSIBYVJJL-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1ccc(cc1)Cl
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.699g/mol
Monoisotopic Mass:
239.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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