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880255-69-6 | Carbamic acid, [(6-chloro-3-pyridinyl)methyl]-, methyl ester
CAS No: 880255-69-6 Catalog No: AG004N53 MDL No:
Product Description
Catalog Number:
AG004N53
Chemical Name:
Carbamic acid, [(6-chloro-3-pyridinyl)methyl]-, methyl ester
CAS Number:
880255-69-6
Molecular Formula:
C8H9ClN2O2
Molecular Weight:
200.6223
IUPAC Name:
methyl N-[(6-chloropyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C8H9ClN2O2/c1-13-8(12)11-5-6-2-3-7(9)10-4-6/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
ZGEQQLYWZCCQGS-UHFFFAOYSA-N
SMILES:
COC(=O)NCc1ccc(nc1)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.622g/mol
Monoisotopic Mass:
200.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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