AG003M53

50907-23-8 | 5-(4-Bromophenyl)-1H-tetrazole

AG003M53

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CAS Number	50907-23-8
Catalog Number	AG003M53(AGN-PC-0OBF5A)
Chemical Name	5-(4-Bromophenyl)-1H-tetrazole
IUPAC Name	5-(4-bromophenyl)-2H-tetrazole
InChI	InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChI Key	YMZMDMWMKVPGDP-UHFFFAOYSA-N
MDL Number	MFCD00991874
Molecular Formula	C7H5BrN4
Molecular Weight	225.0454
SMILES	BrC1=CC=C(C2=NN=NN2)C=C1
Synonyms	5-(4-Bromophenyl)-1H-tetrazole, 50907-23-8, 5-(4-BROMO-PHENYL)-2H-TETRAZOLE, 5-(4-bromophenyl)-2H-tetrazole, 1H-Tetrazole, 5-(4-bromophenyl)-, MFCD00991874, 5-(4-bromophenyl)-1H-1,2,3,4-tetraazole, 5-(4-bromophenyl)tetrazole, ACMC-20aiyk, 4-Bromophenyltetrazole, ACMC-1ASAI, AC1LG6XJ, AC1Q24QL, MLS000770121, SCHEMBL382819, CHEMBL1471025, CTK4J3332, YMZMDMWMKVPGDP-UHFFFAOYSA-, DTXSID80354194, EBD9403, YMZMDMWMKVPGDP-UHFFFAOYSA-N, HMS2748N21, HMS3439G01, ZINC408564, 5-(4-bromo-phenyl)-1H-tetrazole, 2H-Tetrazole,5-(4-bromophenyl)-, KS-00000E3S, 5-(4-BROMOPHENYL) TETRAZOLE, ANW-31158, ANW-75498, SBB096773, AKOS000277228, AKOS001081494, CCG-129675, DS-7418, MCULE-6941153753, PB14264, VZ29909, 5-(4-Bromophenyl)-1H-tetrazole, 97%, AK161867, BC000436, SC-62269, SMR000343602, SY012307, AB0042759, DB-027047, TR-018171, 4CH-023280, 5-(4-bromophenyl)-1H-1,2,3,4-tetrazole, 5-(4-bromophenyl)-2H-1,2,3,4-tetrazole, CS-0041945, FT-0084796, FT-0619636, ST24044196, ST50408782, Z0649, 5 - (4 - Bromophenyl) - 1H - tetrazole, A-5756, Z-6772, MFCD00991874 (97+%), A828351, SR-01000394330, SR-01000394330-1, I14-20078, 5-(4-Bromophenyl) tetrazole; 5-(4-bromo-phenyl)-2H-tetrazole; 5-(4-bromophenyl)-2H-tetraazole; 2H-tetrazole, 5-(4-bromophenyl)-, InChI=1/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12, InChI=1/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12), C7H5BrN4, 5- -2H-TETRAZOLE, CID766141,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.97g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.049g/mol
Monoisotopic Mass	223.97g/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-H318-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P261-P280a-P304+P340-P405-P501a
UN Code

Certificate of Analysis

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