AG000K2Y

123158-68-9 | Benzenamine, 3-bromo-5-ethyl-

AG000K2Y

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CAS Number	123158-68-9
Catalog Number	AG000K2Y(AGN-PC-022R4T)
Chemical Name	Benzenamine, 3-bromo-5-ethyl-
IUPAC Name	3-bromo-5-ethylaniline
InChI	InChI=1S/C8H10BrN/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2,10H2,1H3
InChI Key	YPAQYCIEIXDIQG-UHFFFAOYSA-N
MDL Number	MFCD16659612
Molecular Formula	C8H10BrN
Molecular Weight	200.0757
SMILES	BrC=1C=C(N)C=C(C1)CC
Synonyms	3-Bromo-5-ethylaniline, 123158-68-9, 3-bromo-5-ethyl-benzenamine, SCHEMBL8567773, Benzenamine, 3-bromo-5-ethyl-, KS-00000HNR, DTXSID30596582, YPAQYCIEIXDIQG-UHFFFAOYSA-N, MFCD16659612, ZINC64033427, AKOS016846078, AK-33016, AJ-114579, 4CH-022629, FT-0686993, ST24041911,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.079g/mol
Monoisotopic Mass	199g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 2810

Certificate of Analysis

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