AG00C0YM

36138-28-0 | Methyl 3-chloro-5-nitrobenzoate

AG00C0YM

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CAS Number	36138-28-0
Catalog Number	AG00C0YM(AGN-PC-0KNJ8K)
Chemical Name	Methyl 3-chloro-5-nitrobenzoate
IUPAC Name	methyl 3-chloro-5-nitrobenzoate
InChI	InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-6(9)4-7(3-5)10(12)13/h2-4H,1H3
InChI Key	UYQJTXQJNZMDBI-UHFFFAOYSA-N
MDL Number	MFCD01529623
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	O=C(OC)C1=CC([N+]([O-])=O)=CC(Cl)=C1
Synonyms	methyl 3-chloro-5-nitrobenzoate, 36138-28-0, AC1MGUN7, ACMC-1CU1Z, SCHEMBL583930, methyl 5-chloro-3-nitrobenzoate, CTK4H5963, KS-00000PYE, DTXSID70388145, UYQJTXQJNZMDBI-UHFFFAOYSA-N, ZINC4181852, ANW-28356, MFCD01529623, STK377450, AKOS005449037, CS-W002777, MCULE-9948490940, PS-5658, AJ-48223, AK-90570, CJ-11354, SY024116, 3-chloro-5-nitrobenzoic acid methyl ester, 3-Chloro-5-nitro-benzoic acid methyl ester, ST2407206, TR-014852, ST51059140, X5417, Benzoic acid,3-chloro-5-nitro-, methyl ester, MFCD01529623 (95%), Benzoic acid, 3-chloro-5-nitro-, methyl ester, I01-11522, C8H6ClNO4, ZINC04181852, METHYL3-CHLORO-5-NITROBENZOATE, CID2991916,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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