AG00DBU8

502762-92-7 | Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI)

AG00DBU8

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CAS Number	502762-92-7
Catalog Number	AG00DBU8(AGN-PC-03QCYY)
Chemical Name	Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI)
IUPAC Name	3,6-difluoro-2-hydroxybenzaldehyde
InChI	InChI=1S/C7H4F2O2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-3,11H
InChI Key	PWGMIHBQTCIAKM-UHFFFAOYSA-N
MDL Number	MFCD01815127
Molecular Formula	C7H4F2O2
Molecular Weight	158.1023
SMILES	O=CC1=C(F)C=CC(F)=C1O
Synonyms	3,6-Difluoro-2-hydroxybenzaldehyde, 502762-92-7, Benzaldehyde, 3,6-difluoro-2-hydroxy- (9CI), BENZALDEHYDE, 3,6-DIFLUORO-2-HYDROXY-, PubChem17961, 3,6-Difluorosalicylaldehyde, 3,6-Difluoro-2-formylphenol, SCHEMBL1804679, CTK4J2373, DTXSID50626370, PWGMIHBQTCIAKM-UHFFFAOYSA-N, 6881AB, ANW-44131, BBL101302, CL8300, MFCD08275281, SBB087260, STL555098, ZINC15444622, AKOS005257588, PS-8813, TRA0034180, AJ-67562, AB0006629, DB-018125, TR-017978, FT-0682408, ST24022498, X-4228, I01-15332, C7H4F2O2, CB11113, A7463,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.018g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.104g/mol
Monoisotopic Mass	158.018g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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