AG00357Z

51282-49-6 | METHYL 5-CHLORO-2-NITROBENZOATE

AG00357Z

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CAS Number	51282-49-6
Catalog Number	AG00357Z(AGN-PC-0JPRP9)
Chemical Name	METHYL 5-CHLORO-2-NITROBENZOATE
EC Number	257-107-2
IUPAC Name	methyl 5-chloro-2-nitrobenzoate
InChI	InChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,1H3
InChI Key	JGBJHRKCUKTQOE-UHFFFAOYSA-N
MDL Number	MFCD19313154
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	ClC=1C=CC(=C(C(=O)OC)C1)[N+](=O)[O-]
UNII	1T5D4K1V51
Synonyms	Methyl 5-chloro-2-nitrobenzoate, 51282-49-6, 5-Chloro-2-nitrobenzoic Acid Methyl Ester, Benzoic acid, 5-chloro-2-nitro-, methyl ester, UNII-1T5D4K1V51, MFCD00272139, methyl 5-chloro-2-nitro-benzoate, 1T5D4K1V51, EINECS 257-107-2, PubChem3712, ACMC-209ksr, AC1L56OW, AC1Q42CM, DSSTox_CID_24948, DSSTox_RID_80608, DSSTox_GSID_44948, SCHEMBL40265, KSC495I7R, Methyl5-Chloro-2-nitrobenzoate, PARAGOS 440008, RARECHEM AL BF 0190, CHEMBL3187945, DTXSID5044948, CTK3J5478, KS-00000BID, methylchloronitrobenzenecarboxylate, JGBJHRKCUKTQOE-UHFFFAOYSA-N, Methyl-5-Chloro-2-nitro benzoate, ZINC163347, ACT08434, Tox21_301266, ANW-31225, SBB064180, AKOS001428094, AS02938, LC-0770, MCULE-9707277387, RP12481, RTC-061444, TRA0059197, Methyl 5-chloro-2-nitrobenzoate, 97%, NCGC00256110-01, AC-13707, AJ-16019, AK-47288, AN-41269, BR-47288, CJ-02081, SC-04944, SY009653, ZB007971, 2-Nitro-5-chlorobenzoic acid methyl ester, METHYL (2-NITRO-5-CHLORO)BENZOATE, 5-chloro-2-nitro-benzoic acid methyl ester, CAS-51282-49-6, DB-051934, METHYL 5-CHLORO-2-NITROBENZOIC ACID, TC-061444, AM20050521, FT-0628676, M1996, ST24033262, ST50307785, TL80090448, EN300-28655, MFCD00272139 (98%), M-5477, METHYL 5-CHLORO-2-NITROBENZENECARBOXYLATE, 282M496, W-105910, C8H6ClNO4, C8-H6-Cl-N-O4, CID171018, ZINC00163347, Methyl 5-chloro-2-nitrobenzoate, 98% - 1G 1g,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.589g/mol
Monoisotopic Mass	214.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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