AG0036D8

85102-99-4 | 1-Benzyl-1H-imidazole-5-carbaldehyde

AG0036D8

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CAS Number	85102-99-4
Catalog Number	AG0036D8(AGN-PC-09TXCT)
Chemical Name	1-Benzyl-1H-imidazole-5-carbaldehyde
IUPAC Name	3-benzylimidazole-4-carbaldehyde
InChI	InChI=1S/C11H10N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2
InChI Key	QONDAZCJAPQGRX-UHFFFAOYSA-N
MDL Number	MFCD02179539
Molecular Formula	C11H10N2O
Molecular Weight	186.2099
SMILES	C(C1=CC=CC=C1)N1C=NC=C1C=O
Synonyms	85102-99-4, 1-Benzyl-1H-imidazole-5-carboxaldehyde, 1-benzyl-1H-imidazole-5-carbaldehyde, 3-benzylimidazole-4-carbaldehyde, 3-Benzyl-3H-imidazole-4-carbaldehyde, 1-Benzylimidazole-5-carbaldehyde, PubChem8992, zlchem 1318, AC1MCMNM, BAS 12433644, 1H-Imidazole-5-carboxaldehyde, 1-(phenylmethyl)-, 1-benzyl-5-imidazole aldehyde, ACMC-209q48, CHEMBL191540, SCHEMBL1757759, 1-benzyl-5-imidazolecarbaldehyde, CTK5F4141, DTXSID80378299, ZLE0096, 1-benzyl-5-imidazole carbaldehyde, 1-benzyl-5-imidazolecarbaldehyde;, QONDAZCJAPQGRX-UHFFFAOYSA-N, 1-benzyl-5-imidazolecarboxaldehyde;, 1-benzylimidazole-5-carboxaldehyde;, ACT05591, ZINC2577857, ANW-38118, MFCD02179539, SBB010121, 1-benzyl-1H-5-imidazolecarbaldehyde;, AKOS000302803, 3-benzyl-3H-imidazole-4-carbaldehyde;, B2116G1, EBD1045342, MCULE-7442318593, PB14288, RP07368, VI10037, 1-Benzyl-1H-imidazole-5-carbaldehyde;, 4-(5-Formylimidazol-1-ylmethyl)benzene, AJ-42685, AN-35754, CJ-10140, EN000742, TC-060219, CS-0053923, FT-0641992, ST24037763, ST50293141, Y4243, B-3977, 1H-Imidazole-5-carboxaldehyde,1-(phenylmethyl)-, 102B994, 1-Benzyl-1H-imidazole-5-carboxaldehyde, AldrichCPR, I14-7524, Q-103118, C11H10N2O, CID2773239, A10209, 727-49-1,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.214g/mol
Monoisotopic Mass	186.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	34.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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