AG00GAJF

77378-54-2 | 2-(Bromomethyl)-1-methyl-3-nitrobenzene

AG00GAJF

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CAS Number	77378-54-2
Catalog Number	AG00GAJF(AGN-PC-002Y29)
Chemical Name	2-(Bromomethyl)-1-methyl-3-nitrobenzene
IUPAC Name	2-(bromomethyl)-1-methyl-3-nitrobenzene
InChI	InChI=1S/C8H8BrNO2/c1-6-3-2-4-8(10(11)12)7(6)5-9/h2-4H,5H2,1H3
InChI Key	MVLKTVRKDHDFOJ-UHFFFAOYSA-N
MDL Number	MFCD12025269
Molecular Formula	C8H8BrNO2
Molecular Weight	230.0586
SMILES	O=[N+](C1=C(CBr)C(C)=CC=C1)[O-]
Synonyms	2-(Bromomethyl)-1-methyl-3-nitrobenzene, 77378-54-2, 2-Methyl-6-nitrobenzyl bromide, AK164393, 2-methyl-6-nitrobenzylbromide, SCHEMBL2879819, MVLKTVRKDHDFOJ-UHFFFAOYSA-N, KS-00000S4O, MFCD12025269, ZINC34406315, AKOS025146473, FCH1409191, 2-(bromomethyl)-3-methyl-1-nitrobenzene, ST24039573, 1-(bromomethyl)-6-methyl-2-nitrobenzene,

Complexity	169
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.974g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.061g/mol
Monoisotopic Mass	228.974g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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