AG00IFDH

887310-61-4 | Carbamic acid, (3,6-dichloro-4-pyridazinyl)-, 1,1-dimethylethyl ester

AG00IFDH

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CAS Number	887310-61-4
Catalog Number	AG00IFDH(AGN-PC-0BKEFW)
Chemical Name	Carbamic acid, (3,6-dichloro-4-pyridazinyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(3,6-dichloropyridazin-4-yl)carbamate
InChI	InChI=1S/C9H11Cl2N3O2/c1-9(2,3)16-8(15)12-5-4-6(10)13-14-7(5)11/h4H,1-3H3,(H,12,13,15)
InChI Key	JHEQJSIBSDCKQW-UHFFFAOYSA-N
MDL Number	MFCD17214409
Molecular Formula	C9H11Cl2N3O2
Molecular Weight	264.1085
SMILES	CC(C)(C)OC(=O)NC1=CC(Cl)=NN=C1Cl
Synonyms	887310-61-4, 4-(Boc-amino)-3,6-dichloropyridazine, tert-Butyl (3,6-dichloropyridazin-4-yl)carbamate, tert-butyl n-(3,6-dichloropyridazin-4-yl)carbamate, SCHEMBL926280, CTK8E2491, KS-000002RF, MFCD17214409, ZINC44682225, AKOS015836780, FCH1622506, PB30258, AK165290, AS-33238, DA-40805, ST1130899, TC-072647, CS-0048082, FT-0743860, Q-2768, Carbamic acid, (3,6-dichloro-4-pyridazinyl)-, 1,1-dimethylethyl ester,

Complexity	258
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.023g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.106g/mol
Monoisotopic Mass	263.023g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	64.1A^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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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