AG00C8HE

34837-88-2 | 4-METHOXY-3-NITRO-BENZENEACETIC ACID METHYL ESTER

AG00C8HE

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CAS Number	34837-88-2
Catalog Number	AG00C8HE(AGN-PC-00O7CY)
Chemical Name	4-METHOXY-3-NITRO-BENZENEACETIC ACID METHYL ESTER
IUPAC Name	methyl 2-(4-methoxy-3-nitrophenyl)acetate
InChI	InChI=1S/C10H11NO5/c1-15-9-4-3-7(6-10(12)16-2)5-8(9)11(13)14/h3-5H,6H2,1-2H3
InChI Key	HAFCSCBORMDMFL-UHFFFAOYSA-N
MDL Number	MFCD09754963
Molecular Formula	C10H11NO5
Molecular Weight	225.1980
SMILES	O=C(OC)CC1=CC=C(OC)C([N+]([O-])=O)=C1
Synonyms	methyl 2-(4-methoxy-3-nitrophenyl)acetate, 34837-88-2, methylmethoxynitrophenylacetate, CHEMBL453034, SCHEMBL6986744, SCHEMBL14684960, CTK4H3098, DTXSID70551150, HAFCSCBORMDMFL-UHFFFAOYSA-N, KS-000021ZM, 1086AE, MFCD09754963, SBB096808, ZINC20134081, AKOS000296335, AD-0713, RP12990, Methyl (4-methoxy-3-nitrophenyl)acetate, AK309898, methyl 2-(3-nitro4-methoxyphenyl)acetate, TR-014392, FT-0680773, C-4366, 3-Nitro-4-methoxybenzeneacetic acid methyl ester, J-521847, I14-28962, 4-METHOXY-3-NITRO-BENZENEACETIC ACID METHYL ESTER, C10H11NO5, 4-METHOXY-3-NITRO-BENZENEACETICACIDMETHYLESTER,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.064g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.2g/mol
Monoisotopic Mass	225.064g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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