AG001N2Z

151103-09-2 | Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-

AG001N2Z

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CAS Number	151103-09-2
Catalog Number	AG001N2Z(AGN-PC-023CY1)
Chemical Name	Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-
IUPAC Name	3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde
InChI	InChI=1S/C12H12F2O3/c13-12(14)17-10-4-3-9(6-15)5-11(10)16-7-8-1-2-8/h3-6,8,12H,1-2,7H2
InChI Key	AHVVCELVGCPYGI-UHFFFAOYSA-N
MDL Number	MFCD07779381
Molecular Formula	C12H12F2O3
Molecular Weight	242.2187
SMILES	C1(CC1)COC=1C=C(C=O)C=CC1OC(F)F
Synonyms	151103-09-2, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzaldehyde, 4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)BENZALDEHYDE, 4-(Difluoromethoxy)-3-(cyclopropylmethoxy)-benzaldehyde, Roflumilast intermediate A, Benzaldehyde, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-, AK-47888, A1-00023, Benzaldehyde,3-(cyclopropylmethoxy)-4-(difluoromethoxy)-, 3-(CyclopropylMethoxy)-4-(difluoroMethoxy)benzaldehyde;RofluMilast interMediate, 3-Cyclopropylmethoxy-4-difluoromethoxy, ACMC-209v7w, KSC526Q8T, SCHEMBL832611, CTK4C6889, DTXSID10597012, AHVVCELVGCPYGI-UHFFFAOYSA-N, BCP07145, AN-407, ANW-44730, MFCD07779381, ZINC59796790, AKOS015891175, AM84469, CS-W006995, QC-1332, RP28516, AC-29997, CJ-20889, DS-14538, SC-44073, SY042624, AB0030915, AJ-113676, AX8091220, ST2404805, TX-018224, 4CH-018337, FT-0660889, X3187, MFCD07779381 (95%), A24676, 3-cyclopropylmethoxy-4difluoromethoxybenzaldehyde, 103D092, 3-cyclopropylmethoxy 4-Difluoromethoxy benzaldehyde, 3-cyclopropylmethoxy-4-difluoromethoxybenzaldehyde, I01-9125, J-513714, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde, 4-(DIFLUOROMETHOXY)-3-(CYCLOPROPYLMETHOXY)-BENZALD, RofluMilast interMediate, 4- -3- -BENZALDEHYDE, C12H12F2O3, ACN-048351, 3-cyclopropylmethoxy-4-difluoromethoxy-benzaldehyde, 4-(Difluoromethoxy)-3-(cyclopropylmethoxy) benzaldehyde,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.075g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.222g/mol
Monoisotopic Mass	242.075g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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