AG00735E

40385-54-4 | 2-Bromo-4-methyl-1-nitrobenzene

AG00735E

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CAS Number	40385-54-4
Catalog Number	AG00735E(AGN-PC-0M90XJ)
Chemical Name	2-Bromo-4-methyl-1-nitrobenzene
IUPAC Name	2-bromo-4-methyl-1-nitrobenzene
InChI	InChI=1S/C7H6BrNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChI Key	JXNZCXHQQAUHBJ-UHFFFAOYSA-N
MDL Number	MFCD00234267
Molecular Formula	C7H6BrNO2
Molecular Weight	216.0320
SMILES	O=[N+](C1=CC=C(C)C=C1Br)[O-]
Synonyms	2-bromo-4-methyl-1-nitrobenzene, 40385-54-4, 3-Bromo-4-nitrotoluene, 2-bromo-4-methyl-1-nitro-benzene, Benzene, 2-bromo-4-methyl-1-nitro-, AC1P1XLY, 3-bromo-4-nitro-toluene, SCHEMBL2970916, CTK1D4600, DTXSID10429086, 1-Nitro-2-bromo-4-methylbenzene, JXNZCXHQQAUHBJ-UHFFFAOYSA-N, ZINC7023163, ANW-59771, CL8897, MFCD00234267, SBB095192, AKOS005266439, AJ-57068, AS-19865, AB0042693, TC-148516, FT-0748229, Z0577, Q-7546, AC-907/25004621, C7H6BrNO2, ZINC07023163, CID8167038, SC-42867, 871329-53-2,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.958g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.034g/mol
Monoisotopic Mass	214.958g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number