AG008FIL

861084-04-0 | 5-Bromo-4-methoxy-2-methylaniline

AG008FIL

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CAS Number	861084-04-0
Catalog Number	AG008FIL(AGN-PC-0WD0TG)
Chemical Name	5-Bromo-4-methoxy-2-methylaniline
IUPAC Name	5-bromo-4-methoxy-2-methylaniline
InChI	InChI=1S/C8H10BrNO/c1-5-3-8(11-2)6(9)4-7(5)10/h3-4H,10H2,1-2H3
InChI Key	KSSWHWHADJOWJF-UHFFFAOYSA-N
MDL Number	MFCD17392823
Molecular Formula	C8H10BrNO
Molecular Weight	216.0751
SMILES	COC1=CC(C)=C(N)C=C1Br
Synonyms	5-Bromo-4-methoxy-2-methylaniline, 861084-04-0, 5-Bromo-4-methoxy-2-methylbenzenamine, SCHEMBL680329, CTK8C1937, DTXSID30735732, KSSWHWHADJOWJF-UHFFFAOYSA-N, KS-000005JT, 3450AC, ANW-67475, MFCD17392823, ZINC83428754, CS-W000406, AK-88190, DS-18442, SY029204, Benzenamine, 5-bromo-4-methoxy-2-methyl-, AB0079475, AJ-125979, TX-017180, FT-0689717, MFCD17392823 (95%), W-3113, C8H10BrNO,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.995g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.078g/mol
Monoisotopic Mass	214.995g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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