AG001RAA

15965-31-8 | 1H-Imidazole, 5-chloro-

AG001RAA

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CAS Number	15965-31-8
Catalog Number	AG001RAA(AGN-PC-0O4K5N)
Chemical Name	1H-Imidazole, 5-chloro-
IUPAC Name	5-chloro-1H-imidazole
InChI	InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)
InChI Key	BQRBAXFOPZRMCU-UHFFFAOYSA-N
MDL Number	MFCD09033087
Molecular Formula	C3H3ClN2
Molecular Weight	102.5223
NSC Number	222413
SMILES	C1=C(Cl)[NH]C=N1
Synonyms	4-chloroimidazole, 5-chloro-1H-imidazole, 15965-31-8, 4-chloro-1H-imidazole, 4-Cl-pyrazole, 5-chloroimidazole, 1H-Imidazole, 5-chloro-, 1H-Imidazole, 4-chloro-, AK-39375, NSC222413, 5-chloranyl-1H-imidazole, AC1L3G2D, KSC179G8B, SCHEMBL361377, Jsp003170, 4-Chloro-1H-imidazole, 98%, CTK0H9380, DTXSID90166705, BQRBAXFOPZRMCU-UHFFFAOYSA-N, ACT01997, KS-00000F4J, ZINC4771902, ANW-51133, FCH991300, MFCD09033087, AKOS006350031, AKOS015964929, AC-1860, CS-W018584, NSC-222413, RP18793, AJ-52221, AJ-52222, AN-14528, BC220087, BR-39375, CJ-12277, DS-13170, SC-65619, AB0022573, AX8103616, TC-139878, 4CH-006619, FT-0602139, ST24032971, W3465, 965C318, A810050, AE-562/43286932, J-009624, J-515150, F0001-0571, C3H3ClN2, CID140019,

Complexity	48.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	101.998g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	102.521g/mol
Monoisotopic Mass	101.998g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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