AG000RTF

1261504-50-0 | Methyl 2-hydroxy-6-nitrobenzoate

AG000RTF

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CAS Number	1261504-50-0
Catalog Number	AG000RTF(AGN-PC-0WAMT5)
Chemical Name	Methyl 2-hydroxy-6-nitrobenzoate
IUPAC Name	methyl 2-hydroxy-6-nitrobenzoate
InChI	InChI=1S/C8H7NO5/c1-14-8(11)7-5(9(12)13)3-2-4-6(7)10/h2-4,10H,1H3
InChI Key	VGRACNKLIBCDHG-UHFFFAOYSA-N
MDL Number	MFCD00017565
Molecular Formula	C8H7NO5
Molecular Weight	197.1449
SMILES	O=C(OC)C1=C([N+]([O-])=O)C=CC=C1O
Synonyms	Methyl 2-hydroxy-6-nitrobenzoate, 1261504-50-0, AK-76215, 2-Hydroxy-6-nitrobenzoic acid methyl ester, SCHEMBL15971290, KS-00000PDC, MFCD00017565, ZINC95932968, FCH1148371, DS-16621, AJ-137687, DB-062461, 2-Hydroxy-6-nitro-benzoic acid methyl ester, FT-0723032, ST24047719, Benzoic acid, 2-hydroxy-6-nitro-, methyl ester,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	197.146g/mol
Monoisotopic Mass	197.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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