AG00IAP2

Name: Benzoic acid, 3-formyl-5-(trifluoromethyl)-
Brand: Angene Chemical
SKU: AG00IAP2

604001-03-8 | Benzoic acid, 3-formyl-5-(trifluoromethyl)-

AG00IAP2

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CAS Number	604001-03-8
Catalog Number	AG00IAP2(AGN-PC-01W2OK)
Chemical Name	Benzoic acid, 3-formyl-5-(trifluoromethyl)-
IUPAC Name	3-formyl-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H5F3O3/c10-9(11,12)7-2-5(4-13)1-6(3-7)8(14)15/h1-4H,(H,14,15)
InChI Key	JXRQDLMMHRJEAY-UHFFFAOYSA-N
MDL Number	MFCD22544381
Molecular Formula	C9H5F3O3
Molecular Weight	218.1294
SMILES	OC(C1=CC(C(F)(F)F)=CC(C=O)=C1)=O
Synonyms	3-FORMYL-5-(TRIFLUOROMETHYL)BENZOIC ACID, 604001-03-8, SCHEMBL2997840, JXRQDLMMHRJEAY-UHFFFAOYSA-N, AKOS032945521, 3-carboxy-5-trifluoromethylbenzaldehyde, AB77730, CS-0078973, 3-(TRIFLUOROMETHYL)-5-FORMYLBENZOIC ACID,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.131g/mol
Monoisotopic Mass	218.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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