AG001WZF

16687-61-9 | 2H-Tetrazole, 5-(4-chlorophenyl)-

AG001WZF

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CAS Number	16687-61-9
Catalog Number	AG001WZF(AGN-PC-0O4QMB)
Chemical Name	2H-Tetrazole, 5-(4-chlorophenyl)-
IUPAC Name	5-(4-chlorophenyl)-2H-tetrazole
InChI	InChI=1S/C7H5ClN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChI Key	BGKOVWIBDZMJPN-UHFFFAOYSA-N
MDL Number	MFCD00040952
Molecular Formula	C7H5ClN4
Molecular Weight	180.5944
NSC Number	86301
SMILES	ClC1=CC=C(C2=NN=NN2)C=C1
Synonyms	5-(4-chlorophenyl)-1H-tetrazole, 16687-61-9, 5-(4-chlorophenyl)tetrazole, 5-(4-Chloro-Phenyl)-2H-Tetrazole, CHEMBL449442, 5-(4-chlorophenyl)-1H-1,2,3,4-tetrazole, 5-(4-chlorophenyl)-2H-1,2,3,4-tetraazole, BGKOVWIBDZMJPN-UHFFFAOYSA-N, 5-(4-chlorophenyl)-2H-tetrazole, 2H-Tetrazole,5-(4-chlorophenyl)-, MFCD00040952, 1H-Tetrazole, 5-(4-chlorophenyl)-, NSC86301, ACMC-20am8s, 4-chlorophenyl tetrazole, AC1L5XGW, AC1Q3IWZ, AC1Q3IYV, Bionet2_000295, AC1Q3IX0, AC1Q3R7J, 5-(4'-chlorophenyl)tetrazole, SCHEMBL1774400, SCHEMBL8295416, Jsp003365, CTK4D2470, DTXSID40292881, HMS1364N09, 5-(4-chlorophenyl)-1H-tetraazole, KS-00000E3T, 5-(4-Chloro-phenyl)-1H-tetrazole, 5712AH, BDBM50437283, CCG-40512, NSC-86301, STK208775, ZINC12410520, 2H-Tetrazole, 5-(4-chlorophenyl)-, AKOS000262998, AKOS000297178, AB04302, MCULE-7454941133, TRA0005994, 5-(4-Chlorophenyl)-1H-tetrazole, 97%, AK308512, CJ-14048, CS-10906, SY012305, AB0056992, AB1004039, DB-043667, TX-010967, BB 0238262, FT-0619642, ST50408112, 5-(4-chlorophenyl)-1H-1,2,3,4-tetraazole, 5-(4-chlorophenyl)-2H-1,2,3,4-tetrazole, 6F-900, Z-4149, MFCD00040952 (97+%), AG-690/32526043, I14-20079, Z56995161, 2-Morpholin-4-yl-5-(trifluoromethyl)benzeneboronic acid, pinacol ester, InChI=1/C7H5ClN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12, null, C7H5ClN4, AR-1G5233, CID257758, 2021-40-1, 906352-77-0,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.02g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.595g/mol
Monoisotopic Mass	180.02g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	54.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P210-P250-P280-P301+P312-P370+P380
UN Code

Certificate of Analysis

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