AG0033TA

54198-81-1 | 4-(Chloromethyl)pyrimidine

AG0033TA

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CAS Number	54198-81-1
Catalog Number	AG0033TA(AGN-PC-00L0BO)
Chemical Name	4-(Chloromethyl)pyrimidine
IUPAC Name	4-(chloromethyl)pyrimidine
InChI	InChI=1S/C5H5ClN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChI Key	AROGQTWAAJTEFR-UHFFFAOYSA-N
MDL Number	MFCD10697060
Molecular Formula	C5H5ClN2
Molecular Weight	128.5596
SMILES	ClCc1ccncn1
Synonyms	4-(Chloromethyl)pyrimidine, 54198-81-1, PYRIMIDINE, 4-(CHLOROMETHYL)-, 4-Chloromethylpyrimidine, 4-chloromethyl-pyrimidine, AK-79161, SCHEMBL243543, PyriMidine,4-(chloroMethyl)-, CTK8B7792, DTXSID80519766, AROGQTWAAJTEFR-UHFFFAOYSA-N, CS-B0380, 7792AB, ANW-58635, ZINC39053120, AKOS012040505, AB58895, FCH2603984, KS-0000008C, AJ-97616, BBV-34709824, SC-52501, AX8218899, DB-071809, TX-016842, FT-0767737, Pyrimidine,4- -, C5H5ClN2, Pyrimidine, 4-(chloromethyl)- (9CI), ACN-039136,

Complexity	67.4
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	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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