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1179208-46-8 | [Cyclopropyl-(3,4-dichloro-benzyl)-amino]-acetic acid
CAS No: 1179208-46-8 Catalog No: AG01F862 MDL No:
Product Description
Catalog Number:
AG01F862
Chemical Name:
[Cyclopropyl-(3,4-dichloro-benzyl)-amino]-acetic acid
CAS Number:
1179208-46-8
Molecular Formula:
C12H13Cl2NO2
Molecular Weight:
274.1431
IUPAC Name:
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H13Cl2NO2/c13-10-4-1-8(5-11(10)14)6-15(7-12(16)17)9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,16,17)
InChI Key:
DWFHYMXFIZJYOK-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
284
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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