AG001T2C

162401-62-9 | Benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-

AG001T2C

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CAS Number	162401-62-9
Catalog Number	AG001T2C(AGN-PC-0KFSGN)
Chemical Name	Benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-
IUPAC Name	3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid
InChI	InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16)
InChI Key	IGFDIFLMMLWKKY-UHFFFAOYSA-N
MDL Number	MFCD04621687
Molecular Formula	C12H12F2O4
Molecular Weight	258.2181
SMILES	FC(Oc1ccc(cc1OCC1CC1)C(=O)O)F
Synonyms	162401-62-9, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic Acid, 3-CYCLOPROPYLMETHOXY-4-DIFLUOROMETHOXYBENZOIC ACID, 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid, Roflumilast intermediate B, MFCD04621687, Benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-, AK-47919, AC1M69NG, SCHEMBL1030007, CTK8B4340, DTXSID30368468, IGFDIFLMMLWKKY-UHFFFAOYSA-N, C12H12F2O4, BCP07140, KS-00000IG8, ZINC3278513, ANW-44728, BBL101833, STL555630, AKOS008901106, AN-3475, CS-W005379, MCULE-6477811964, AC-23371, AJ-44854, AS-18905, SC-45369, SY042625, AB0060286, AX8168638, TC-071210, 4CH-009275, AM20030096, FT-0660843, ST24028332, X3188, MFCD04621687 (97%), A24674, M-9372, 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic aci, 3-cyclopropylmethoxy 4-Difluoromethoxy benzoic acid, J-512382, Z56943765, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid, RofluMilast interMediate, cc-215, ACN-028884, CID2394006, CS-T-51495, 1-(2-chloro-4-hydroxyphenyl)-3-cyclopropylurea, 3-Cyclopropylmethoxy-4-difluoromethoxybenzoicacid, 3-Cyclopropylmethoxy-4- difluoromethoxy-benzoic acid, 796848-79-8,

Complexity	294
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.07g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.221g/mol
Monoisotopic Mass	258.07g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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