AG007X47

Name: 4-TERT-BUTYL-2-NITRO-BENZOIC ACID
Brand: Angene Chemical
SKU: AG007X47

103797-19-9 | 4-TERT-BUTYL-2-NITRO-BENZOIC ACID

AG007X47

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CAS Number	103797-19-9
Catalog Number	AG007X47(AGN-PC-0JNU1Q)
Chemical Name	4-TERT-BUTYL-2-NITRO-BENZOIC ACID
IUPAC Name	4-tert-butyl-2-nitrobenzoic acid
InChI	InChI=1S/C11H13NO4/c1-11(2,3)7-4-5-8(10(13)14)9(6-7)12(15)16/h4-6H,1-3H3,(H,13,14)
InChI Key	WVADEHDXGNQZNV-UHFFFAOYSA-N
MDL Number	MFCD01463292
Molecular Formula	C11H13NO4
Molecular Weight	223.2252
NSC Number	85294
SMILES	C(C)(C)(C)C1=CC(=C(C(=O)O)C=C1)[N+](=O)[O-]
Synonyms	4-tert-butyl-2-nitrobenzoic acid, 103797-19-9, 4-TERT-BUTYL-2-NITRO-BENZOIC ACID, 4-(tert-butyl)-2-nitrobenzoic acid, Benzoic acid, 4-(1,1-dimethylethyl)-2-nitro-, AE-562/12222042, NSC85294, ACMC-1BR3F, AC1L5WJ8, AC1Q1YD1, NCIOpen2_004856, Oprea1_114085, SCHEMBL700691, CTK0H2499, DTXSID80292749, 2-nitro-4-tert-butylbenzoic acid, WVADEHDXGNQZNV-UHFFFAOYSA-N, ZINC345409, NSC-85294, SBB096482, AKOS015909357, DB-059054, FT-0701470, I14-34027, AR-1G4689, CID257326, 4-TERT-BUTYL-2-NITRO-BENZOICACID, 112-33-4,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	223.228g/mol
Monoisotopic Mass	223.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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