AG0071UW

41498-10-6 | 4-(1H-1,2,3-Triazol-1-yl)benzaldehyde

AG0071UW

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CAS Number	41498-10-6
Catalog Number	AG0071UW(AGN-PC-0NBJ2H)
Chemical Name	4-(1H-1,2,3-Triazol-1-yl)benzaldehyde
IUPAC Name	4-(triazol-1-yl)benzaldehyde
InChI	InChI=1S/C9H7N3O/c13-7-8-1-3-9(4-2-8)12-6-5-10-11-12/h1-7H
InChI Key	CUKGVKDSSJVBFD-UHFFFAOYSA-N
MDL Number	MFCD07783843
Molecular Formula	C9H7N3O
Molecular Weight	173.1714
SMILES	N1(N=NC=C1)C1=CC=C(C=O)C=C1
Synonyms	41498-10-6, 4-(1H-1,2,3-TRIAZOL-1-YL)BENZALDEHYDE, 4-[1,2,3]Triazol-1-yl-benzaldehyde, Benzaldehyde,4-(1H-1,2,3-triazol-1-yl)-, SCHEMBL1124165, CTK4I4924, DTXSID90445643, CUKGVKDSSJVBFD-UHFFFAOYSA-N, ZX-AT016857, 5715AB, CT-999, MFCD07783843, ZINC21985709, 4-[1,2,3]triazol-1-ylbenzaldehyde, AKOS015901377, 4-(1,2,3-triazol-1-yl)benzaldehyde, FCH1121075, ACM41498106, 4-(1,2,3-triazol-1-yl)-benzaldehyde, 4-[1,2,3]-Triazol-1-yl-benzaldehyde, AJ-79379, AM803877, AS-39523, 1-(4-Formylphenyl)-1H-1,2,3-triazole, AX8093145, 4-(1H-1,2,3-triazol-1-yl)-benzaldehyde, FT-0084582, FT-0650766, I14-14914, C9H7N3O, 4-(triazol-1-yl)benzaldehyde, CID10844943,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.175g/mol
Monoisotopic Mass	173.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number