AG005GAQ

Name: 3-Nitro-2-(propan-2-yloxy)benzoic acid
Brand: Angene Chemical
SKU: AG005GAQ

81957-22-4 | 3-Nitro-2-(propan-2-yloxy)benzoic acid

AG005GAQ

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CAS Number	81957-22-4
Catalog Number	AG005GAQ(AGN-PC-0UL391)
Chemical Name	3-Nitro-2-(propan-2-yloxy)benzoic acid
IUPAC Name	3-nitro-2-propan-2-yloxybenzoic acid
InChI	InChI=1S/C10H11NO5/c1-6(2)16-9-7(10(12)13)4-3-5-8(9)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key	IVVRRWKNAJCNEZ-UHFFFAOYSA-N
MDL Number	MFCD26046235
Molecular Formula	C10H11NO5
Molecular Weight	225.1980
NSC Number	37274
SMILES	CC(OC1=C([N+]([O-])=O)C=CC=C1C(O)=O)C
Synonyms	81957-22-4, 3-nitro-2-(propan-2-yloxy)benzoic acid, 3-nitro-2-propan-2-yloxybenzoic acid, Benzoic acid,2-(1-methylethoxy)-3-nitro-, NSC37274, AC1L5UVK, CTK5E9251, DTXSID30284457, IVVRRWKNAJCNEZ-UHFFFAOYSA-N, ZINC1669869, NSC-37274, AKOS033698506, (1-methylethyl)oxyl-3-nitrobenzoic acid, Z1966492586, CID235658,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.064g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.2g/mol
Monoisotopic Mass	225.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited