AG00DBU7

502762-95-0 | Benzaldehyde, 3,4-difluoro-2-hydroxy- (9CI)

AG00DBU7

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CAS Number	502762-95-0
Catalog Number	AG00DBU7(AGN-PC-07AC0S)
Chemical Name	Benzaldehyde, 3,4-difluoro-2-hydroxy- (9CI)
IUPAC Name	3,4-difluoro-2-hydroxybenzaldehyde
InChI	InChI=1S/C7H4F2O2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-3,11H
InChI Key	ZIDMZOAQFCFSHA-UHFFFAOYSA-N
MDL Number	MFCD08275283
Molecular Formula	C7H4F2O2
Molecular Weight	158.1023
SMILES	O=CC1=CC=C(F)C(F)=C1O
Synonyms	3,4-Difluoro-2-hydroxybenzaldehyde, 502762-95-0, BENZALDEHYDE, 3,4-DIFLUORO-2-HYDROXY-, PubChem17441, Benzaldehyde, 3,4-difluoro-2-hydroxy- (9CI), SCHEMBL1042430, CTK4J2374, KS-00000ROC, DTXSID50665406, ZIDMZOAQFCFSHA-UHFFFAOYSA-N, CL9040, MFCD08275283, ZINC36533623, AKOS006345542, CS-W021796, DS-5536, AJ-93219, AK136536, ST24041144, X-3462, Benzaldehyde,3,4-difluoro-2-hydroxy-,

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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