AG006AFK

Name: 3-Butoxy-4-nitrobenzoic acid
Brand: Angene Chemical
SKU: AG006AFK

72101-53-2 | 3-Butoxy-4-nitrobenzoic acid

AG006AFK

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CAS Number	72101-53-2
Catalog Number	AG006AFK(AGN-PC-0JNRL5)
Chemical Name	3-Butoxy-4-nitrobenzoic acid
IUPAC Name	3-butoxy-4-nitrobenzoic acid
InChI	InChI=1S/C11H13NO5/c1-2-3-6-17-10-7-8(11(13)14)4-5-9(10)12(15)16/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key	RITZSLUFIIRTTQ-UHFFFAOYSA-N
MDL Number	MFCD00024721
Molecular Formula	C11H13NO5
Molecular Weight	239.2246
NSC Number	76562
SMILES	C(CCC)OC=1C=C(C(=O)O)C=CC1[N+](=O)[O-]
Synonyms	3-butoxy-4-nitrobenzoic acid, 72101-53-2, Butoxy nitrobenzoic acid, Benzoic acid, 3-butoxy-4-nitro-, AC1L5OBB, AC1Q1ZHH, SCHEMBL223553, Benzoicacid,3-butoxy-4-nitro-, CTK5I3419, RITZSLUFIIRTTQ-UHFFFAOYSA-N, NSC76562, ZINC1707944, 5866AF, NSC-76562, AKOS009040781, MCULE-7824690573, C11H13NO5, AR-1F2362, CID253531, 929-62-4,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.079g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.227g/mol
Monoisotopic Mass	239.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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