AG003EE6

56248-10-3 | 5-Phenyl-1H-imidazole-2-carbaldehyde

AG003EE6

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CAS Number	56248-10-3
Catalog Number	AG003EE6(AGN-PC-0OCCIL)
Chemical Name	5-Phenyl-1H-imidazole-2-carbaldehyde
IUPAC Name	5-phenyl-1H-imidazole-2-carbaldehyde
InChI	InChI=1S/C10H8N2O/c13-7-10-11-6-9(12-10)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key	OIZJTDJQBZIIAH-UHFFFAOYSA-N
MDL Number	MFCD10696709
Molecular Formula	C10H8N2O
Molecular Weight	172.1833
SMILES	O=CC1=NC=C(C2=CC=CC=C2)N1
Synonyms	56248-10-3, 4-Phenyl-1H-imidazole-2-carbaldehyde, 5-Phenyl-1H-imidazole-2-carbaldehyde, 1H-Imidazole-2-carboxaldehyde, 4-phenyl-, OIZJTDJQBZIIAH-UHFFFAOYSA-N, 1H-Imidazole-2-carboxaldehyde, 4-phenyl, ACMC-1AVCN, AC1LC2GN, SCHEMBL258654, CTK7I0563, CTK8E5051, DTXSID40340891, ZINC62151947, AKOS012296404, AKOS023362791, AB57981, TRA0084740, 5-Phenyl-1H-imidazole-2-carbaldehyde #, AK312516, CJ-20908, DS-11840, 1H-Imidazole-2-carboxaldehyde, 5-phenyl-, TX-017082, EN300-73581, Z1953499610, CID568384,

Complexity	178
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	1
Isotope Atom Count	0
Molecular Weight	172.187g/mol
Monoisotopic Mass	172.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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