AG00BXM5

400750-63-2 | 4-(3-Fluorophenyl)benzaldehyde

AG00BXM5

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CAS Number	400750-63-2
Catalog Number	AG00BXM5(AGN-PC-0K4NIY)
Chemical Name	4-(3-Fluorophenyl)benzaldehyde
IUPAC Name	4-(3-fluorophenyl)benzaldehyde
InChI	InChI=1S/C13H9FO/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-9H
InChI Key	GUECWHQTSREAMT-UHFFFAOYSA-N
MDL Number	MFCD04039225
Molecular Formula	C13H9FO
Molecular Weight	200.2084
SMILES	O=CC1=CC=C(C2=CC=CC(F)=C2)C=C1
Synonyms	400750-63-2, 4-(3-fluorophenyl)benzaldehyde, 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde, 3'-fluorobiphenyl-4-carbaldehyde, 3'-Fluoro-biphenyl-4-carbaldehyde, 3'-fluoro[1,1'-biphenyl]-4-carbaldehyde, AC1LRDXW, PubChem10273, BAS 10156569, AMTDA108, SCHEMBL1785334, CTK4I2414, 3-fluoro-biphenyl-4-carbaldehyde, DTXSID10362742, ZINC1260071, 3-fluoro-4'-formyl-1,1'-biphenyl, SBB007521, AKOS000303116, AS-2127, MCULE-7354842627, VZ27730, KS-0000227V, AJ-25282, AN-28501, ZB016204, 4-(3-Fluorophenyl)benzaldehyde, AldrichCPR, AB0009212, DB-049529, TR-044309, BB 0222435, FT-0644584, ST50289662, 3'-fluoro-[1,1'-biphenyl]-4-carboxaldehyde, [1,1'-Biphenyl]-4-carboxaldehyde,3'-fluoro-, 750F632, A824903, 4- benzaldehyde, C13H9FO, CID1394261,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.212g/mol
Monoisotopic Mass	200.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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