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121572-37-0 | Carbamic acid, (4-chloro-2,6-pyridinediyl)bis-, dimethyl ester (9CI)
CAS No: 121572-37-0 Catalog No: AG0015B3 MDL No:MFCD10574957
Product Description
Catalog Number:
AG0015B3
Chemical Name:
Carbamic acid, (4-chloro-2,6-pyridinediyl)bis-, dimethyl ester (9CI)
CAS Number:
121572-37-0
Molecular Formula:
C9H10ClN3O4
Molecular Weight:
259.6464
MDL Number:
MFCD10574957
IUPAC Name:
methyl N-[4-chloro-6-(methoxycarbonylamino)pyridin-2-yl]carbamate
InChI:
InChI=1S/C9H10ClN3O4/c1-16-8(14)12-6-3-5(10)4-7(11-6)13-9(15)17-2/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChI Key:
SFWTVMNXBYATBW-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cc(Cl)cc(n1)NC(=O)OC
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.646g/mol
Monoisotopic Mass:
259.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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