AG0033SI

34114-12-0 | 4-(1H-Tetrazol-5-yl)benzoic acid

AG0033SI

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CAS Number	34114-12-0
Catalog Number	AG0033SI(AGN-PC-0O93UY)
Chemical Name	4-(1H-Tetrazol-5-yl)benzoic acid
IUPAC Name	4-(2H-tetrazol-5-yl)benzoic acid
InChI	InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChI Key	GEKBULKUEADYRB-UHFFFAOYSA-N
MDL Number	MFCD06345720
Molecular Formula	C8H6N4O2
Molecular Weight	190.1588
NSC Number	282009
SMILES	N1N=NN=C1C1=CC=C(C(=O)O)C=C1
Synonyms	4-(1H-tetrazol-5-yl)benzoic acid, 34114-12-0, 4-(2H-Tetrazol-5-yl)-benzoic acid, 4-(2H-tetrazol-5-yl)benzoic acid, 4-(1H-1,2,3,4-tetrazol-5-yl)benzoic acid, 4-(2H-1,2,3,4-tetraazol-5-yl)benzoic acid, GEKBULKUEADYRB-UHFFFAOYSA-N, MFCD06345720, Benzoic acid, 4-(1H-tetrazol-5-yl)-, 5-(4-CARBOXYPHENYL)-1H-TETRAZOLE, 4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid, 4(1H-tetrazd-5-yl)benzoicacid, NSC282009, ACMC-1BN9P, 5-(4-carboxyphenyl)tetrazole, AC1Q735A, SCHEMBL1249470, CTK4H1754, CTK7I7844, ZINC94366, DTXSID70314323, HMS1700B09, 4(1H-Tetrazol-5-yl)benzoic acid, 4-(1H-Tetrazol-5-yl)benzoicAcid, AC1L8817, KS-00000CN9, ZERO/005016, 4-(1H-tetrazol-5-yl?benzoic acid, 4-(tetrazolyl)benzenecarboxylic acid, 4-(1H-Tetrazole-5-yl)benzoic acid, ANW-74390, BBL008249, CCG-26075, SBB002457, SP2022, STK662725, 4-(1H-tetrazol-5-yl)-benzoic acid, AKOS000278863, AKOS000293197, Benzoic acid,4-(2H-tetrazol-5-yl)-, BS-4041, MCULE-1347023517, NE19363, NSC-282009, TRA0071709, Benzoic acid, 4-(2H-tetrazol-5-yl)-, AK-57099, BAS 10152604, SC-24100, ST079729, SY012311, AB0032942, DB-027048, TC-064515, TC-163135, TR-056031, 4CH-024374, A6020, FT-0684325, ST24042800, X6384, EN300-10695, 4-(1H-Tetrazol-5-yl)benzoic acid, AldrichCPR, K-7820, 4-(2H-Tetrazol-5-yl)-benzoic acid, AldrichCPR, MFCD06345720 (97+%), 4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOICACID, I14-14785, Z99601150, 4- BENZOICACID, C8H6N4O2, 4(1H-tetrazd-5-yl)benzoic acid, CID323168, CB10876, 4-(1H-Tetrazol-5-yl)-benzoic acid, 97% - 1G 1g,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.049g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.162g/mol
Monoisotopic Mass	190.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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