AG00IDC2

838856-31-8 | Benzaldehyde, 5-chloro-2-fluoro-4-hydroxy-

AG00IDC2

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CAS Number	838856-31-8
Catalog Number	AG00IDC2(AGN-PC-03T859)
Chemical Name	Benzaldehyde, 5-chloro-2-fluoro-4-hydroxy-
IUPAC Name	5-chloro-2-fluoro-4-hydroxybenzaldehyde
InChI	InChI=1S/C7H4ClFO2/c8-5-1-4(3-10)6(9)2-7(5)11/h1-3,11H
InChI Key	CHTPIXIKKYXDEA-UHFFFAOYSA-N
MDL Number	MFCD22066584
Molecular Formula	C7H4ClFO2
Molecular Weight	174.5569
SMILES	O=CC1=CC(Cl)=C(O)C=C1F
Synonyms	5-chloro-2-fluoro-4-hydroxybenzaldehyde, 838856-31-8, 5-chloro-2-fluoro-4-hydroxy-benzaldehyde, SCHEMBL1057387, CHTPIXIKKYXDEA-UHFFFAOYSA-N, MFCD22066584, ZINC82399252, AKOS022709798, AS-46325, Benzaldehyde, 5-chloro-2-fluoro-4-hydroxy-,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.988g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	174.555g/mol
Monoisotopic Mass	173.988g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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