AG003HJC

3913-23-3 | 2-(Bromomethyl)-1-methoxy-4-nitrobenzene

AG003HJC

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CAS Number	3913-23-3
Catalog Number	AG003HJC(AGN-PC-0JLQQZ)
Chemical Name	2-(Bromomethyl)-1-methoxy-4-nitrobenzene
EC Number	223-471-6
IUPAC Name	2-(bromomethyl)-1-methoxy-4-nitrobenzene
InChI	InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
InChI Key	JRHMPHMGOGMNDU-UHFFFAOYSA-N
MDL Number	MFCD00007329
Molecular Formula	C8H8BrNO3
Molecular Weight	246.0580
SMILES	COC1=C(CBr)C=C(C=C1)[N+]([O-])=O
Synonyms	2-methoxy-5-nitrobenzyl bromide, Koshland's reagent II, 3913-23-3, 2-(Bromomethyl)-1-methoxy-4-nitrobenzene, 2-Methoxy-5-nitrobenzyl bromide, 2-Bromomethyl-4-nitroanisole, Koshland's reagent II, Koshland Reagent No. 2, 2-Methoxy-5-nitrobenzylbromide, 2-(Bromomethyl)-4-nitroanisole, Anisole, 2-(bromomethyl)-4-nitro-, Koshland Reagent II, Benzene, 2-(bromomethyl)-1-methoxy-4-nitro-, EINECS 223-471-6, BRN 1878596, JRHMPHMGOGMNDU-UHFFFAOYSA-N, Toluene, alpha-bromo-2-methoxy-6-nitro-, Benzene,2-(bromomethyl)-1-methoxy-4-nitro-, Koshland reagent 2, MNBB, Koshland reagent number 2, ACMC-1AE0P, AC1L2T7V, AC1Q45CB, 3-06-00-01276 (Beilstein Handbook Reference), SCHEMBL922726, 2-methoxy-5-nitro-benzylbromide, CTK4I0975, JRHMPHMGOGMNDU-UHFFFAOYSA-, DTXSID60192379, 2-Methoxy-5-nitro benzyl bromide, ZINC2567959, BBL025757, STL368201, AKOS005133594, CB-2009, MCULE-6165453408, VZ24103, 2-Methoxy-5-nitrobenzyl bromide, 97%, 2-(Bromomethyl)1-methoxy-4-nitrobenzene, 2-Bromomethyl-1-methoxy-4-nitro-benzene, AJ-41529, 2-(bromomethyl)-1-methoxy-4-nitro-benzene, DB-006033, LS-154025, ST2416164, TC-170480, FT-0600724, ST51037989, T7783, Toluene, .alpha.-bromo-2-methoxy-6-nitro-, A824420, A1-04449, I01-7598, Benzene, 2-(bromomethyl)-1-methoxy-4-nitro- (9CI), InChI=1/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3, C8H8BrNO3, C8-H8-Br-N-O3, CID77516,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.06g/mol
Monoisotopic Mass	244.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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