AG002OD1

2450-27-3 | Benzaldehyde, 3-methoxy-2-nitro-4-(phenylmethoxy)-

AG002OD1

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CAS Number	2450-27-3
Catalog Number	AG002OD1(AGN-PC-0JSX83)
Chemical Name	Benzaldehyde, 3-methoxy-2-nitro-4-(phenylmethoxy)-
IUPAC Name	3-methoxy-2-nitro-4-phenylmethoxybenzaldehyde
InChI	InChI=1S/C15H13NO5/c1-20-15-13(21-10-11-5-3-2-4-6-11)8-7-12(9-17)14(15)16(18)19/h2-9H,10H2,1H3
InChI Key	GWLAEBPGTQVKBA-UHFFFAOYSA-N
MDL Number	MFCD22055797
Molecular Formula	C15H13NO5
Molecular Weight	287.2674
SMILES	O=CC1=CC=C(OCC2=CC=CC=C2)C(OC)=C1[N+]([O-])=O
Synonyms	4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde, 2450-27-3, GWLAEBPGTQVKBA-UHFFFAOYSA-N, Benzaldehyde, 3-methoxy-2-nitro-4-(phenylmethoxy)-, AK165116, 3-methoxy-2-nitro-4-phenylmethoxybenzaldehyde, AC1LBP3F, SCHEMBL1656075, DTXSID50340125, MFCD22055797, ZINC91692493, AKOS025146754, DS-8930, KS-0000025B, 4-Benzyloxy-3-methoxy-2-nitrobenzaldehyde, Benzaldehyde, 4-benzyloxy-3-methoxy-2-nitro-, 4-(Benzyloxy)-3-methoxy-2-nitrobenzaldehyde #, CID561817,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.079g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	287.271g/mol
Monoisotopic Mass	287.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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