AG007UOB

110683-22-2 | 8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran

AG007UOB

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CAS Number	110683-22-2
Catalog Number	AG007UOB(AGN-PC-0NXFXS)
Chemical Name	8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran
IUPAC Name	8-amino-2-(2H-tetrazol-5-yl)chromen-4-one
InChI	InChI=1S/C10H7N5O2/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10/h1-4H,11H2,(H,12,13,14,15)
InChI Key	GSZQAIJMONCDFZ-UHFFFAOYSA-N
MDL Number	MFCD12024928
Molecular Formula	C10H7N5O2
Molecular Weight	229.1949
SMILES	NC=1C=CC=C2C(C=C(OC12)C1=NN=NN1)=O
Synonyms	110683-22-2, 8-Amino-2-(1H-tetrazol-5-yl)-4H-chromen-4-one, 8-Amino-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one, 8-amino-2-(2H-tetrazol-5-yl)chromen-4-one, 8-amino-2-(2H-tetrazol-5-yl)-4H-1-Benzopyran-4-one, 8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran, 8-Amino-4-oxo-2-(tetrazol-5-yl)benzopyran, 8-Amino-2-(tetrazol-5-yl)-1-benzopyran-4-one, 8-Amino-4-oxo-2-(5-1H-tetrazolyl)-4H-1-benzopyran, AK-56555, 4H-1-Benzopyran-4-one,8-amino-2-(2H-tetrazol-5-yl)-, ACMC-20mdlv, SCHEMBL3378970, Jsp000813, CTK4A7008, DTXSID90474135, GSZQAIJMONCDFZ-UHFFFAOYSA-N, BCP16791, EBD46144, KS-00000FJ3, 1976AA, MFCD08458726, AKOS015896549, AKOS016011261, ZINC100049856, AC-1610, RP27816, VZ30991, AJ-82719, AN-14779, BC650582, DS-15099, SC-20037, AJ-135470, AX8111041, DB-060022, FT-0653352, FT-0658686, ST24045748, 8-Amino-2-(2H-tetrazol-5-yl)-chromen-4-one, 683A222, 5-(8-amino-4-oxo-4H-1-benzopyran-2-yl)tetrazole, I06-2499, J-002464, J-519361, 5-(8-amino-4-oxo-4H-1-benzopyran-2-yl)-tetrazole, 8-Amino-2-(1H-tetrazole-5-yl)-gamma-chromene-4-one, 8-amino-2-(2H-1,2,3,4-tetrazol-5-yl)-4H-chromen-4-one, C10H7N5O2, CID11831208, 8-amino-4-oxo-2-tertrazol-5-yl-4H-1-benzopyran Hydrochloride (pranlukast),

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.06g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.199g/mol
Monoisotopic Mass	229.06g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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