AG00I9S5

54788-18-0 | Benzene, 2-bromo-1-(bromomethyl)-4-methoxy-

AG00I9S5

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CAS Number	54788-18-0
Catalog Number	AG00I9S5(AGN-PC-0N73UV)
Chemical Name	Benzene, 2-bromo-1-(bromomethyl)-4-methoxy-
IUPAC Name	2-bromo-1-(bromomethyl)-4-methoxybenzene
InChI	InChI=1S/C8H8Br2O/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3
InChI Key	ATTFAYYIRHBGME-UHFFFAOYSA-N
MDL Number	MFCD18390186
Molecular Formula	C8H8Br2O
Molecular Weight	279.9565
SMILES	COC1=CC=C(CBr)C(Br)=C1
Synonyms	2-bromo-1-(bromomethyl)-4-methoxybenzene, 54788-18-0, 3-Bromo-4-(bromomethyl)anisole, 2-bromo-1-bromomethyl-4-methoxybenzene, Benzene, 2-bromo-1-(bromomethyl)-4-methoxy-, SCHEMBL3527192, CTK1F8195, DTXSID90442213, ATTFAYYIRHBGME-UHFFFAOYSA-N, MFCD18390186, ZINC39044966, AKOS013398297, 2-BROMO-4-METHOXYBENZYL BROMIDE, AS-46310, SC-52089, CID10588783, 2-bromo-1-(bromomethyl)-4-methoxy-benzene,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	279.892g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	279.959g/mol
Monoisotopic Mass	277.894g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	danger
UN Code	UN 1759

Certificate of Analysis

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