AG00IECH

870837-70-0 | 4-(1H-Imidazol-1-yl)-3-methoxybenzaldehyde

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CAS Number	870837-70-0
Catalog Number	AG00IECH(AGN-PC-0WANKE)
Chemical Name	4-(1H-Imidazol-1-yl)-3-methoxybenzaldehyde
IUPAC Name	4-imidazol-1-yl-3-methoxybenzaldehyde
InChI	InChI=1S/C11H10N2O2/c1-15-11-6-9(7-14)2-3-10(11)13-5-4-12-8-13/h2-8H,1H3
InChI Key	BFARODQVUOAKSJ-UHFFFAOYSA-N
MDL Number	MFCD13180653
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	O=CC1=CC=C(N2C=CN=C2)C(OC)=C1
Synonyms	4-(1H-imidazol-1-yl)-3-methoxybenzaldehyde, 870837-70-0, AK169985, 4-(1H-IMIDAZOL-1-YL)-3-METHOXY-BENZALDEHYDE, SCHEMBL1239502, KS-00000SXA, BFARODQVUOAKSJ-UHFFFAOYSA-N, MFCD13180653, ZINC95938051, AKOS024074413, DS-9730, 4-Imidazol-1-yl-3-methoxy-benzaldehyde, 4-(1H-imidazol-1-yl) -3-methoxybenzaldehyde, Benzaldehyde,4-(1H-imidazol-1-yl)-3-methoxy-, A1-10013, Benzaldehyde, 4-(1H-imidazol-1-yl)-3-methoxy-,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^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

Lot Number