AG003RPR

142320-39-6 | Methyl 3-(Chloromethyl)-5-nitrobenzoate

AG003RPR

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CAS Number	142320-39-6
Catalog Number	AG003RPR(AGN-PC-003D7W)
Chemical Name	Methyl 3-(Chloromethyl)-5-nitrobenzoate
IUPAC Name	methyl 3-(chloromethyl)-5-nitrobenzoate
InChI	InChI=1S/C9H8ClNO4/c1-15-9(12)7-2-6(5-10)3-8(4-7)11(13)14/h2-4H,5H2,1H3
InChI Key	SOYXACQYGFPAPD-UHFFFAOYSA-N
MDL Number	MFCD13689045
Molecular Formula	C9H8ClNO4
Molecular Weight	229.6171
SMILES	COC(C1=CC([N+]([O-])=O)=CC(CCl)=C1)=O
Synonyms	METHYL 3-(CHLOROMETHYL)-5-NITROBENZOATE, 142320-39-6, BENZOIC ACID, 3-(CHLOROMETHYL)-5-NITRO-, METHYL ESTER, SCHEMBL938235, KS-00000BSM, 3-(CHLOROMETHYL)-5-NITRO-BENZOIC ACID METHYL ESTER, MFCD13689045, ZINC95761828, AKOS025243974, AB70480, Methyl3-(Chloromethyl)-5-nitrobenzoate, TRA0047607, BBV-45160408, CS-11615, SY026478, FT-0711573, MFCD13689045 (95%),

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.014g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.616g/mol
Monoisotopic Mass	229.014g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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