AG00DEVX

475271-62-6 | 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide

AG00DEVX

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CAS Number	475271-62-6
Catalog Number	AG00DEVX(AGN-PC-0H5VE5)
Chemical Name	3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide
IUPAC Name	3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide
InChI	InChI=1S/C16H14Cl2N2O3/c17-11-6-19-7-12(18)15(11)20-16(22)10-3-4-13(21)14(5-10)23-8-9-1-2-9/h3-7,9,21H,1-2,8H2,(H,19,20,22)
InChI Key	IJTMJUHUWQHBEA-UHFFFAOYSA-N
MDL Number	MFCD23703091
Molecular Formula	C16H14Cl2N2O3
Molecular Weight	353.2000
SMILES	O=C(NC1=C(Cl)C=NC=C1Cl)C2=CC=C(O)C(OCC3CC3)=C2
Synonyms	475271-62-6, 3-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide, 4-O-Des(difluoromethyl) Roflumilast, AK122862, SCHEMBL720381, DTXSID40735763, MFCD23703091, ZINC77287063, AKOS016012207, DS-6754, AJ-122643, AX8247040, FT-0665977, N-(3,5-dichloropyrid-4-yl)-3-cyclopropylmethoxy-4-hydroxybenzamide, 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-hydroxybenzamide, N-(3,5-Dichloro-4-pyridyl)-3-(cyclopropylmethoxy)-4-hydroxybenzamide, Temsirolimus, IJTMJUHUWQHBEA-UHFFFAOYSA-N,

Complexity	412
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	352.038g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	353.199g/mol
Monoisotopic Mass	352.038g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	71.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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