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89660-18-4 | Carbamic acid, (2-amino-6-chloro-3-pyridinyl)methyl-, ethyl ester
CAS No: 89660-18-4 Catalog No: AG0043UJ MDL No:MFCD25968535
Product Description
Catalog Number:
AG0043UJ
Chemical Name:
Carbamic acid, (2-amino-6-chloro-3-pyridinyl)methyl-, ethyl ester
CAS Number:
89660-18-4
Molecular Formula:
C9H12ClN3O2
Molecular Weight:
229.6635
MDL Number:
MFCD25968535
IUPAC Name:
ethyl N-(2-amino-6-chloropyridin-3-yl)-N-methylcarbamate
InChI:
InChI=1S/C9H12ClN3O2/c1-3-15-9(14)13(2)6-4-5-7(10)12-8(6)11/h4-5H,3H2,1-2H3,(H2,11,12)
InChI Key:
BQNBGRDPHWYUBS-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCc1ccc(nc1N)Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.664g/mol
Monoisotopic Mass:
229.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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