AG007GN8

104737-00-0 | 5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

AG007GN8

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CAS Number	104737-00-0
Catalog Number	AG007GN8(AGN-PC-0MXBGI)
Chemical Name	5-Bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
IUPAC Name	5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline
InChI	InChI=1S/C10H11BrN2O2/c1-12-5-4-7-8(6-12)10(13(14)15)3-2-9(7)11/h2-3H,4-6H2,1H3
InChI Key	DXRCGGKIRYSZQP-UHFFFAOYSA-N
MDL Number	MFCD09955235
Molecular Formula	C10H11BrN2O2
Molecular Weight	271.1105
SMILES	O=[N+](C1=CC=C(Br)C2=C1CN(C)CC2)[O-]
Synonyms	104737-00-0, 5-BROMO-2-METHYL-8-NITRO-1,2,3,4-TETRAHYDROISOQUINOLINE, 5-bromo-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline, AK-42070, Isoquinoline,5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-, DXRCGGKIRYSZQP-UHFFFAOYSA-N, ACMC-1BRV4, SCHEMBL3020938, CTK4A3274, KS-00000OFM, DTXSID70434257, Isoquinoline, 5-bromo-1,2,3,4-tetrahydro-2-methyl-8-nitro-, 1052AA, ANW-59687, MFCD09955235, ZINC22006387, AKOS015908984, CB-2655, AJ-80277, DS-14019, AX8209420, TC-148432, A801048, A1-10446, I14-34056, 2-Methyl-5-bromo-8-nitro-1,2,3,4-tetrahydroisoquinoline, 5-bromanyl-2-methyl-8-nitro-3,4-dihydro-1H-isoquinoline, 5-Bromo-1,2,3,4-tetrahydro-2-methyl-8-nitroisoquinoline, 5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydro-isoquinoline, 5-Bromo-N-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline, N-methyl-5-bromo-8-nitro-1,2,3,4-tetrahydroisoquinoline, 5-Bromo-1, 2, 3, 4-tetrahydro-2-methyl-8-nitroisoquinoline, C10H11BrN2O2, 5-chloro-6-Methylpyrazin-2-amine, CID10016010, 453548-87-3,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.114g/mol
Monoisotopic Mass	270g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number