AG008CBG

879016-22-5 | 5-Chloro-2-(1H-tetrazol-1-yl)benzaldehyde

AG008CBG

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CAS Number	879016-22-5
Catalog Number	AG008CBG(AGN-PC-0VHH40)
Chemical Name	5-Chloro-2-(1H-tetrazol-1-yl)benzaldehyde
IUPAC Name	5-chloro-2-(tetrazol-1-yl)benzaldehyde
InChI	InChI=1S/C8H5ClN4O/c9-7-1-2-8(6(3-7)4-14)13-5-10-11-12-13/h1-5H
InChI Key	JYIIRAPFQHKOOC-UHFFFAOYSA-N
MDL Number	MFCD09031766
Molecular Formula	C8H5ClN4O
Molecular Weight	208.6045
SMILES	O=CC1=CC(Cl)=CC=C1N2N=NN=C2
Synonyms	879016-22-5, 5-Chloro-2-tetrazol-1-yl-benzaldehyde, 5-Chloro-2-(1H-tetrazol-1-yl)benzaldehyde, 5-chloro-2-(tetrazol-1-yl)benzaldehyde, SCHEMBL478641, CTK5F9112, DTXSID70468299, JYIIRAPFQHKOOC-UHFFFAOYSA-N, ZX-AT019073, MFCD09031766, OR2287, ZINC21994042, AKOS005265038, FCH1324362, AJ-79856, AS-37320, 1-(4-Chloro-2-formylphenyl)-1H-tetrazole, AX8103260, RT-010268, A-2045, Benzaldehyde,5-chloro-2-(1H-tetrazol-1-yl)-, 5-chloro-2-(1,2,3,4-tetrazol-1-yl)benzaldehyde, 5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzaldehyde, 5-CHLORO-2- BENZALDEHYDE, CID11543019,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.015g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.605g/mol
Monoisotopic Mass	208.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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