AG00DEFD

54198-88-8 | 2-(Chloromethyl)pyrimidine

AG00DEFD

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CAS Number	54198-88-8
Catalog Number	AG00DEFD(AGN-PC-00JWB1)
Chemical Name	2-(Chloromethyl)pyrimidine
IUPAC Name	2-(chloromethyl)pyrimidine
InChI	InChI=1S/C5H5ClN2/c6-4-5-7-2-1-3-8-5/h1-3H,4H2
InChI Key	MSFVEEFXECBJPG-UHFFFAOYSA-N
MDL Number	MFCD06796203
Molecular Formula	C5H5ClN2
Molecular Weight	128.5596
SMILES	ClCC1=NC=CC=N1
Synonyms	2-(Chloromethyl)pyrimidine, 54198-88-8, 2-CHLOROMETHYLPYRIMIDINE, Pyrimidine, 2-(chloromethyl)-, 2-(Chloromethyl)-Pyrimidine Hydrochloride, chloromethylpyrimidine, PubChem21458, 2-chloromethyl pyrimidine, 2-chloromethyl-pyrimidine, AC1Q3U4C, 2-(chloromethyl)-pyrimidine, Pyrimidine,2-(chloromethyl)-, SCHEMBL874436, CTK4J9962, DTXSID80512151, MSFVEEFXECBJPG-UHFFFAOYSA-N, KS-00000L4U, ANW-49643, CC-887, CC0061, MFCD06796203, ZINC11887620, AKOS006240026, CS-W005780, GS-6677, HP21001, RP08437, SB10109, AC-26631, AJ-60335, AK-31895, AN-17092, BC212037, BR-31895, CJ-13710, HC210350, SC-21832, AB0025392, AB1011581, DB-013364, ST2409381, TR-019164, 4CH-014028, AM20100337, FT-0649606, M6336, W6849, S-5256, 198C888, I03-0513, W-203044, null, 2- pyrimidine, C5H5ClN2, A7882,

Complexity	61.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.014g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.559g/mol
Monoisotopic Mass	128.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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