AG00035U

1009093-60-0 | Benzaldehyde, 3-bromo-5-fluoro-2-methoxy-

AG00035U

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CAS Number	1009093-60-0
Catalog Number	AG00035U(AGN-PC-0WAMSE)
Chemical Name	Benzaldehyde, 3-bromo-5-fluoro-2-methoxy-
IUPAC Name	3-bromo-5-fluoro-2-methoxybenzaldehyde
InChI	InChI=1S/C8H6BrFO2/c1-12-8-5(4-11)2-6(10)3-7(8)9/h2-4H,1H3
InChI Key	TXXNMOPCEBWUJN-UHFFFAOYSA-N
MDL Number	MFCD11520672
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=CC1=CC(F)=CC(Br)=C1OC
Synonyms	3-bromo-5-fluoro-2-methoxybenzaldehyde, 1009093-60-0, AK-61380, SCHEMBL10265990, KS-00000P4O, MFCD11520672, ZINC84326813, AKOS022181566, FCH1404418, AS-19672, AJ-126287, Benzaldehyde, 3-bromo-5-fluoro-2-methoxy-, CS-0041780, ST24041913, Y3512, Q-8009, 3-Bromo-5-fluoro-2-methoxy-benzaldehyde, 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	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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