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889676-38-4 | Methyl (4-chloropyridin-2-yl);carbamate
CAS No: 889676-38-4 Catalog No: AG0045Y1 MDL No:MFCD03392094
Product Description
Catalog Number:
AG0045Y1
Chemical Name:
Methyl (4-chloropyridin-2-yl);carbamate
CAS Number:
889676-38-4
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD03392094
IUPAC Name:
methyl N-(4-chloropyridin-2-yl)carbamate
InChI:
InChI=1S/C7H7ClN2O2/c1-12-7(11)10-6-4-5(8)2-3-9-6/h2-4H,1H3,(H,9,10,11)
InChI Key:
KZEFCECVTCHENL-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cc(Cl)ccn1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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