AG003FCU

10385-36-1 | 1-BROMO-2,3,4-TRIMETHOXYBENZENE

AG003FCU

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CAS Number	10385-36-1
Catalog Number	AG003FCU(AGN-PC-0JNTSB)
Chemical Name	1-BROMO-2,3,4-TRIMETHOXYBENZENE
IUPAC Name	1-bromo-2,3,4-trimethoxybenzene
InChI	InChI=1S/C9H11BrO3/c1-11-7-5-4-6(10)8(12-2)9(7)13-3/h4-5H,1-3H3
InChI Key	HKCQJLVIFMFOTG-UHFFFAOYSA-N
MDL Number	MFCD01318955
Molecular Formula	C9H11BrO3
Molecular Weight	247.0858
NSC Number	84516
SMILES	COC1=CC=C(Br)C(OC)=C1OC
Synonyms	1-bromo-2,3,4-trimethoxybenzene, 10385-36-1, 2,3,4-(Trimethoxy)bromobenzene, Benzene,1-bromo-2,3,4-trimethoxy-, 2,3,4-(TRIMETHOXY)BROMOBENZENE, 99%, NSC84516, trimethoxy bromobenzene, AC1L5VOC, NCIOpen2_004640, SCHEMBL772484, 4-bromopyrogallol trimethyl ether, CTK4A2433, KS-00000TJT, DTXSID00292665, HKCQJLVIFMFOTG-UHFFFAOYSA-N, 1,2,3-Trimethoxy-4-bromobenzene, ZINC404177, AC1Q2699, 1-Bromo-2,3,4-trimethoxy-benzene, 2 3 4-(Trimethoxy)bromobenzene99, MFCD01318955, NSC-84516, 1-bromanyl-2,3,4-trimethoxy-benzene, AKOS009603889, Benzene, 1-bromo-2,3,4-trimethoxy-, AK270433, DS-10998, Y3576, Q-8078, A818588, J-001047, I01-17113, C9H11BrO3, AR-1C1925, CID256930, 1125-66-2, 2675-79-8,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.088g/mol
Monoisotopic Mass	245.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	27.7A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number