AG000X13

127404-22-2 | Benzaldehyde, 3-(1H-imidazol-1-yl)-

AG000X13

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CAS Number	127404-22-2
Catalog Number	AG000X13(AGN-PC-0NKJH9)
Chemical Name	Benzaldehyde, 3-(1H-imidazol-1-yl)-
IUPAC Name	3-imidazol-1-ylbenzaldehyde
InChI	InChI=1S/C10H8N2O/c13-7-9-2-1-3-10(6-9)12-5-4-11-8-12/h1-8H
InChI Key	CGTQCZGDVDTRDI-UHFFFAOYSA-N
MDL Number	MFCD09836178
Molecular Formula	C10H8N2O
Molecular Weight	172.1833
SMILES	O=CC1=CC=CC(N2C=CN=C2)=C1
Synonyms	3-(1H-Imidazol-1-yl)benzaldehyde, 127404-22-2, 3-(1-IMIDAZOLYL)BENZALDEHYDE, Benzaldehyde, 3-(1H-imidazol-1-yl)-, PubChem22683, 3-imidazolylbenzaldehyde, 3-imidazol-1-ylbenzaldehyde, 3-(imidazol-1-yl)benzaldehyde, SCHEMBL2570787, Jsp001729, CTK7H9870, DTXSID50576321, CGTQCZGDVDTRDI-UHFFFAOYSA-N, KS-00000AY4, 3442AD, CI-586, MFCD09836178, SBB088643, ZINC20357529, AKOS002391976, AB53362, MCULE-6147214272, TRA0014461, AJ-77092, AK-78804, AN-13568, CJ-16660, SC-25201, SY003062, DB-018505, RT-008281, FT-0690159, 9P-759, A24836, Z-3344, MFCD09836178 (97+%), C10H8N2O, 898405-01-1,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.064g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.187g/mol
Monoisotopic Mass	172.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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