AG00DL4B

Name: 3-(1,1-difluoroethyl)benzoic acid
Brand: Angene Chemical
SKU: AG00DL4B

55805-17-9 | 3-(1,1-difluoroethyl)benzoic acid

AG00DL4B

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CAS Number	55805-17-9
Catalog Number	AG00DL4B(AGN-PC-03MZK6)
Chemical Name	3-(1,1-difluoroethyl)benzoic acid
IUPAC Name	3-(1,1-difluoroethyl)benzoic acid
InChI	InChI=1S/C9H8F2O2/c1-9(10,11)7-4-2-3-6(5-7)8(12)13/h2-5H,1H3,(H,12,13)
InChI Key	DWMFGAQGWWWTBF-UHFFFAOYSA-N
MDL Number	MFCD20640021
Molecular Formula	C9H8F2O2
Molecular Weight	186.1554
SMILES	CC(C1=CC=CC(=C1)C(=O)O)(F)F
Synonyms	3-(1,1-difluoroethyl)benzoic acid, 55805-17-9, SCHEMBL3932481, KS-00003TBU, DWMFGAQGWWWTBF-UHFFFAOYSA-N, MFCD20640021, ZINC98213469, AKOS023599376, Benzoic acid, 3-(1,1-difluoroethyl)-, TS-02595, Guanidinosuccinic acid, 6133-30-8,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.049g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.158g/mol
Monoisotopic Mass	186.049g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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