AG00EKLG

654056-82-3 | N-BOC-4-bromo-3-methylaniline

AG00EKLG

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CAS Number	654056-82-3
Catalog Number	AG00EKLG(AGN-PC-0D4XK2)
Chemical Name	N-BOC-4-bromo-3-methylaniline
IUPAC Name	tert-butyl N-(4-bromo-3-methylphenyl)carbamate
InChI	InChI=1S/C12H16BrNO2/c1-8-7-9(5-6-10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)
InChI Key	GIPPMBXUPCAXHC-UHFFFAOYSA-N
MDL Number	MFCD21170329
Molecular Formula	C12H16BrNO2
Molecular Weight	286.1649
SMILES	CC1=CC(NC(OC(C)(C)C)=O)=CC=C1Br
Synonyms	N-BOC-4-bromo-3-methylaniline, 654056-82-3, tert-Butyl (4-bromo-3-methylphenyl)carbamate, ACMC-209nqo, SCHEMBL2178849, CTK8B2111, DTXSID90733097, GIPPMBXUPCAXHC-UHFFFAOYSA-N, ANW-35038, MFCD21170329, ZINC75290433, AKOS014476454, DS-9898, AK198037, tert-butyl 4-bromo-3-methylphenylcarbamate, TC-123783, V7139, (4-Bromo-3-methyl-phenyl)-carbamic acid tert-butyl ester, C12H16BrNO2,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	285.036g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	286.169g/mol
Monoisotopic Mass	285.036g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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