AG0036YF

90484-53-0 | Methyl 3-bromo-4-formylbenzoate

AG0036YF

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CAS Number	90484-53-0
Catalog Number	AG0036YF(AGN-PC-09RZUP)
Chemical Name	Methyl 3-bromo-4-formylbenzoate
IUPAC Name	methyl 3-bromo-4-formylbenzoate
InChI	InChI=1S/C9H7BrO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3
InChI Key	OILDTPUIIUEPFL-UHFFFAOYSA-N
MDL Number	MFCD16036864
Molecular Formula	C9H7BrO3
Molecular Weight	243.0541
SMILES	COC(=O)C1=CC(Br)=C(C=O)C=C1
Synonyms	METHYL 3-BROMO-4-FORMYLBENZOATE, 90484-53-0, SCHEMBL205064, CTK8C3610, KS-00000QTW, DTXSID10697526, 5064AC, ANW-70317, MFCD16036864, RB3327, ZINC82046660, AKOS016002777, DS-3513, AK100357, DA-01509, SC-82993, AJ-124354, TC-159062, 4CH-012185, FT-0696402, ST24025283, C9H7BrO3, Methyl3-bromo-4-formylbenzoate,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.958g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	243.056g/mol
Monoisotopic Mass	241.958g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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