AG00345Q

73096-42-1 | 5-(2-bromophenyl)-1H-tetrazole

AG00345Q

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CAS Number	73096-42-1
Catalog Number	AG00345Q(AGN-PC-0OH7XC)
Chemical Name	5-(2-bromophenyl)-1H-tetrazole
IUPAC Name	5-(2-bromophenyl)-2H-tetrazole
InChI	InChI=1S/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChI Key	YHVBXKTXLJTDRI-UHFFFAOYSA-N
MDL Number	MFCD00151799
Molecular Formula	C7H5BrN4
Molecular Weight	225.0454
SMILES	n1n[nH]c(n1)c2ccccc2Br
Synonyms	5-(2-Bromophenyl)-1H-tetrazole, 73096-42-1, 5-(2-Bromophenyl)tetrazole, 5-(2-Bromo-Phenyl)-2H-Tetrazole, 5-(2-bromophenyl)-2H-tetrazole, MFCD00151799, 5-(2-bromophenyl)-1H-1,2,3,4-tetrazole, YHVBXKTXLJTDRI-UHFFFAOYSA-N, 5-[2-Bromophenyl]-1H-tetraazole, 5-(2-bromophenyl)-1(h)-tetrazole, 1H-Tetrazole, 5-(2-bromophenyl)-, 5-(2-bromophenyl)-2H-1,2,3,4-tetrazole, 5-(2-bromophenyl)-1H-tetraazole, 5-(2-bromophenyl)-1,2,3,4-tetraazole, AC1LBMUT, AC1Q26DW, ACMC-1BJ97, KSC492E3H, SCHEMBL704887, AC1Q255F, 5-(o-bromophenyl)-1h-tetrazole, CTK3J2233, ZINC85629, DTXSID90339997, 1-Bromo(1H-tetrazol-5-yl)benzene, 5-(2-Bromo-phenyl)-1H-tetrazole, ACN-S003314, ACT08197, ALBB-030442, BCP21514, KS-00000E3V, 2-Bromo-1-(tetrazol-5-yl)benzene, 5-(2-Bromophenyl)-[1H]-tetrazole, ANW-36288, SBB057586, AKOS000121604, AKOS000277864, AB28590, AC-1082, FS-1611, MCULE-2072614308, RTC-030673, TRA0002897, VZ29870, 5-(2-Bromophenyl)-1H-tetrazole, 98%, AK-36236, AN-15310, BC000512, BC210256, SC-78017, SY012303, DB-006914, TC-030673, B2577, FT-0601034, ST24044167, ST50306930, Z0817, 5-(2-Bromo-phenyl)-2H-tetrazole, AldrichCPR, B-5050, MFCD00151799 (97+%), 096B421, A837934, Z56969325, InChI=1/C7H5BrN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12, C7H5BrN4, 5- -1H-TETRAZOLE, AR-1G4997, CID560689, 1-Boc-2,3-dihydro-7-indolecarbaldehyde, 5-(2-Bromophenyl)-1H-tetrazole, 99% - 1G 1g, 7381-30-8,

Complexity	154
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	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number