AG000OO9

1257665-03-4 | Benzaldehyde, 3-bromo-2-fluoro-5-methyl-

AG000OO9

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CAS Number	1257665-03-4
Catalog Number	AG000OO9(AGN-PC-0WD0VX)
Chemical Name	Benzaldehyde, 3-bromo-2-fluoro-5-methyl-
IUPAC Name	3-bromo-2-fluoro-5-methylbenzaldehyde
InChI	InChI=1S/C8H6BrFO/c1-5-2-6(4-11)8(10)7(9)3-5/h2-4H,1H3
InChI Key	UWXZGMZIJCSQAE-UHFFFAOYSA-N
MDL Number	MFCD12756718
Molecular Formula	C8H6BrFO
Molecular Weight	217.0350
SMILES	O=CC1=CC(C)=CC(Br)=C1F
Synonyms	3-BROMO-2-FLUORO-5-METHYLBENZALDEHYDE, 1257665-03-4, ACMC-209b0g, SCHEMBL12135681, CTK4B4783, DTXSID50681848, ANW-18542, MFCD12756718, ZINC65337046, AKOS015834119, FCH1376330, CJ-21023, Benzaldehyde, 3-bromo-2-fluoro-5-methyl-, AJ-114977, AX8239668, TR-035507, Z8989, B-2348, I01-11043, C8H6BrFO,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.037g/mol
Monoisotopic Mass	215.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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