AG003RT6

618-95-1 | Methyl 3-nitrobenzoate

AG003RT6

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CAS Number	618-95-1
Catalog Number	AG003RT6(AGN-PC-0JL8WT)
Chemical Name	Methyl 3-nitrobenzoate
EC Number	210-573-0
IUPAC Name	methyl 3-nitrobenzoate
InChI	InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3
InChI Key	AXLYJLKKPUICKV-UHFFFAOYSA-N
MDL Number	MFCD00007250
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	1327
SMILES	O=C(OC)C1=CC=CC([N+]([O-])=O)=C1
Synonyms	Methyl 3-nitrobenzoate, 618-95-1, 3-Nitrobenzoic Acid Methyl Ester, Methyl m-nitrobenzoate, Benzoic acid, 3-nitro-, methyl ester, methyl3-nitrobenzoate, m-Nitrobenzoic acid, methyl ester, MFCD00007250, Benzoic acid, m-nitro-, methyl ester, 3-nitro-benzoic acid methyl ester, AXLYJLKKPUICKV-UHFFFAOYSA-N, 3-NITRO-BENZOICACIMETHYLESTER, Methyl 3-nitrobenzoate, 98%, NSC 1327, EINECS 210-573-0, ACMC-209mxc, methyl 3-nitro-benzoate, AI3-08853, Methyl meta-nitrobenzoate, AC1Q5AGH, 3-Nitrobenzoic acid methyl, AC1L2BH4, Methyl 3-nitrobenzoate, 99%, ARONIS007155, SCHEMBL1572442, RARECHEM AL BF 0189, 3-O2N-C6H4-COOCH3, DTXSID5060691, CTK5B3997, KS-00003ZAL, NSC1327, AKOS B029800, ZINC354552, Benzoic acid,3-nitro- methyl ester, KS-00000UZ0, NSC-1327, ANW-33982, Benzoic acid, 3-nitro-,methyl ester, SBB063290, STK397386, AKOS000313778, AS02467, MCULE-4069381850, RP24215, TRA0072717, VZ27144, AJ-20102, AN-46644, BENZOIC ACID,3-NITRO-METHYL ESTER, BR-48393, ZB011071, AB0007038, DB-013430, ST2407216, TC-122727, TL8003974, 4CH-000647, FT-0083453, FT-0628575, N0157, ST45025847, V1321, Benzoic acid, m-nitro-, methyl ester (8CI), S-1917, A833473, AG-205/32711022, I01-1143, J-512970, Z19668576, F1685-0403, InChI=1/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H, methyl-3-nitrobenzoate, Benzoic acid, methyl ester, C8H7NO4, m-Nitrobenzoic acid methyl ester, C8-H7-N-O4, CID69260, AR-1J5187, 6306-68-9,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number