AG0096NM

103275-21-4 | 3-Bromo-4-(tert-butyl)aniline

AG0096NM

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CAS Number	103275-21-4
Catalog Number	AG0096NM(AGN-PC-0JR25W)
Chemical Name	3-Bromo-4-(tert-butyl)aniline
IUPAC Name	3-bromo-4-tert-butylaniline
InChI	InChI=1S/C10H14BrN/c1-10(2,3)8-5-4-7(12)6-9(8)11/h4-6H,12H2,1-3H3
InChI Key	AXNHKDCJNXKFFT-UHFFFAOYSA-N
MDL Number	MFCD09966047
Molecular Formula	C10H14BrN
Molecular Weight	228.1289
SMILES	NC1=CC=C(C(C)(C)C)C(Br)=C1
Synonyms	3-Bromo-4-(tert-butyl)aniline, 103275-21-4, 3-bromo-4-tert-butylphenylamine, 3-bromo-4-tert-butylaniline, 3-bromo-4-tert-butyl-aniline, AK130597, AC1L9NXM, SCHEMBL1684402, CTK7D6109, KS-00000REU, DTXSID10329774, 4-(tert-butyl)-3-bromophenylamine, ZINC1583290, MFCD09966047, SBB097244, AKOS016015038, DS-6730, FCH1396693, AJ-27496, AM805780, BC600014, AX8251520, ST2401843, 4CH-019508, CS-0059262, W-4292, A1-10862, CID423726, NSC156900,

Complexity	150
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.031g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.133g/mol
Monoisotopic Mass	227.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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