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1353955-16-4 | [(2,5-Dichloro-benzyl)-isopropyl-amino]-acetic acid
CAS No: 1353955-16-4 Catalog No: AG01F8RE MDL No:
Product Description
Catalog Number:
AG01F8RE
Chemical Name:
[(2,5-Dichloro-benzyl)-isopropyl-amino]-acetic acid
CAS Number:
1353955-16-4
Molecular Formula:
C12H15Cl2NO2
Molecular Weight:
276.1590
IUPAC Name:
2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C12H15Cl2NO2/c1-8(2)15(7-12(16)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChI Key:
YKHQRCIIHMCUNN-UHFFFAOYSA-N
SMILES:
CC(N(Cc1cc(Cl)ccc1Cl)CC(=O)O)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.048g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.157g/mol
Monoisotopic Mass:
275.048g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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