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1179605-69-6 | [Cyclopropyl-(2,6-dichloro-benzyl)-amino]-acetic acid
CAS No: 1179605-69-6 Catalog No: AG01F863 MDL No:
Product Description
Catalog Number:
AG01F863
Chemical Name:
[Cyclopropyl-(2,6-dichloro-benzyl)-amino]-acetic acid
CAS Number:
1179605-69-6
Molecular Formula:
C12H13Cl2NO2
Molecular Weight:
274.1431
IUPAC Name:
2-[cyclopropyl-[(2,6-dichlorophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H13Cl2NO2/c13-10-2-1-3-11(14)9(10)6-15(7-12(16)17)8-4-5-8/h1-3,8H,4-7H2,(H,16,17)
InChI Key:
FIJREFNUUHJEJT-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1c(Cl)cccc1Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.141g/mol
Monoisotopic Mass:
273.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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