1-(2-Amino-4-bromophenyl)ethanone - CAS 123858-51-5

Catalog:	BB075057
Product Name:	1-(2-Amino-4-bromophenyl)ethanone
CAS:	123858-51-5
Synonyms:	1-(2-Amino-4-bromophenyl)ethanone; Ethanone, 1-(2-amino-4-bromophenyl)-; 1-(2-amino-4-bromophenyl)ethan-1-one; 2'-Amino-4'-bromoacetophenone; 1-(2-Amino-4-bromo-phenyl)-ethanone; 2-amino-4-bromoacetophenone

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(2-amino-4-bromophenyl)ethanone
Description:	1-(2-Amino-4-bromophenyl)ethanone
Molecular Weight:	214.06
Molecular Formula:	C8H8BrNO
Canonical SMILES:	CC(=O)C1=C(C=C(C=C1)Br)N
InChI:	InChI=1S/C8H8BrNO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,10H2,1H3
InChI Key:	RCGAXUAOILUCAA-UHFFFAOYSA-N

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.97893
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	212.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5