AG000N5B

1250967-81-7 | 2-Chloro-4-isopropoxypyrimidine

AG000N5B

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CAS Number	1250967-81-7
Catalog Number	AG000N5B(AGN-PC-0WAKSQ)
Chemical Name	2-Chloro-4-isopropoxypyrimidine
IUPAC Name	2-chloro-4-propan-2-yloxypyrimidine
InChI	InChI=1S/C7H9ClN2O/c1-5(2)11-6-3-4-9-7(8)10-6/h3-5H,1-2H3
InChI Key	NWKPCTJWFJSBAY-UHFFFAOYSA-N
MDL Number	MFCD16712382
Molecular Formula	C7H9ClN2O
Molecular Weight	172.6122
SMILES	CC(OC1=NC(Cl)=NC=C1)C
Synonyms	2-chloro-4-isopropoxypyrimidine, 1250967-81-7, 2-CHLORO-4-(1-METHYLETHOXY)-PYRIMIDINE, 2-chloro-4-(propan-2-yloxy)pyrimidine, Pyrimidine, 2-chloro-4-(1-methylethoxy)-, SCHEMBL2013688, NWKPCTJWFJSBAY-UHFFFAOYSA-N, 2-chloro-4-propan-2-yloxypyrimidine, MFCD16712382, ZINC51848871, AKOS011622905, AS-47556, DA-13584, SY034503, Pyrimidine,2-chloro-4-(1-methylethoxy)-, FT-0745910, MFCD16712382 (95%),

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.612g/mol
Monoisotopic Mass	172.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number