AG000BJ2

1160653-94-0 | Benzaldehyde, 3-bromo-2-fluoro-6-methoxy-

AG000BJ2

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CAS Number	1160653-94-0
Catalog Number	AG000BJ2(AGN-PC-0C0FIO)
Chemical Name	Benzaldehyde, 3-bromo-2-fluoro-6-methoxy-
IUPAC Name	3-bromo-2-fluoro-6-methoxybenzaldehyde
InChI	InChI=1S/C8H6BrFO2/c1-12-7-3-2-6(9)8(10)5(7)4-11/h2-4H,1H3
InChI Key	ZFSQBXCQHSTLJT-UHFFFAOYSA-N
MDL Number	MFCD15528066
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=CC1=C(OC)C=CC(Br)=C1F
Synonyms	3-Bromo-2-fluoro-6-methoxybenzaldehyde, 1160653-94-0, SCHEMBL276550, ZFSQBXCQHSTLJT-UHFFFAOYSA-N, MFCD15528066, ZINC75914838, AKOS023125767, AS05535, CM11845, FCH1391218, PC53130, 3-bromo-2-fluoro-6-methoxy-benzaldehyde, AK153158, BC005176, BC659356, AJ-122098, AX8289413, Benzaldehyde, 3-bromo-2-fluoro-6-methoxy-, ST24041842, Y3738, Q-8162, 3-Bromo-2-fluoro-6-methoxybenzaldehyde, AldrichCPR, C8H6BrFO2,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code

Certificate of Analysis

Lot Number