AG00AV05

Name: 4-Isopropyl-3-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG00AV05

174482-81-6 | 4-Isopropyl-3-nitrobenzoic acid

AG00AV05

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CAS Number	174482-81-6
Catalog Number	AG00AV05(AGN-PC-042Y5G)
Chemical Name	4-Isopropyl-3-nitrobenzoic acid
IUPAC Name	3-nitro-4-propan-2-ylbenzoic acid
InChI	InChI=1S/C10H11NO4/c1-6(2)8-4-3-7(10(12)13)5-9(8)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key	MHMBAGATQNUECC-UHFFFAOYSA-N
MDL Number	MFCD18826067
Molecular Formula	C10H11NO4
Molecular Weight	209.1986
SMILES	CC(C1=C([N+]([O-])=O)C=C(C(O)=O)C=C1)C
Synonyms	4-Isopropyl-3-nitrobenzoic acid, 174482-81-6, 3-nitro-4-(propan-2-yl)benzoic acid, Benzoic acid, 4-(1-methylethyl)-3-nitro-, SCHEMBL7573511, MHMBAGATQNUECC-UHFFFAOYSA-N, ZINC39087142, AKOS027400445, MCULE-4735645997, NE23242, Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI), Z1778350398,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	209.201g/mol
Monoisotopic Mass	209.069g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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