AG00BXAU

4209-02-3 | 1-(4-bromophenyl)-2-chloroethan-1-one

AG00BXAU

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CAS Number	4209-02-3
Catalog Number	AG00BXAU(AGN-PC-0JLR05)
Chemical Name	1-(4-bromophenyl)-2-chloroethan-1-one
EC Number	224-134-6
IUPAC Name	1-(4-bromophenyl)-2-chloroethanone
InChI	InChI=1S/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H2
InChI Key	HCQNNQFCUAGJBD-UHFFFAOYSA-N
MDL Number	MFCD00095178
Molecular Formula	C8H6BrClO
Molecular Weight	233.4896
NSC Number	94761
SMILES	O=C(C1=CC=C(Br)C=C1)CCl
Synonyms	4209-02-3, 1-(4-bromophenyl)-2-chloroethanone, 2-Chloro-4'-bromoacetophenone, 1-(4-Bromophenyl)-2-chloroethan-1-one, 1-(4-Bromo-phenyl)-2-chloro-ethanone, 4'-Bromo-2-chloroacetophenone, ethanone, 1-(4-bromophenyl)-2-chloro-, 4 inverted exclamation mark -Bromo-2-chloroacetophenone, NSC94761, p-Bromphenacylchlorid, PubChem7424, AC1L2U0T, AC1Q3T9G, AC1Q5DR1, NCIOpen2_005960, p-Bromo-2-chloroacetophenone, SCHEMBL474016, ETH067, CTK4I5697, KS-00000JDQ, DTXSID50194928, alpha-Chloro-4'-bromoacetophenone, HCQNNQFCUAGJBD-UHFFFAOYSA-N, ACT12913, ZINC1609916, EINECS 224-134-6, MFCD00095178, NSC 94761, NSC-94761, SBB064287, 4?-BROMO-2-CHLOROACETOPHENONE, AKOS000115679, AM61969, AS04020, AS05102, DS-1655, MCULE-3701510276, Ethanone,1-(4-bromophenyl)-2-chloro-, AJ-28217, AK-41703, BR-41703, CJ-05763, CJ-26025, SC-04409, SY096724, DB-070256, ST2408564, 4CH-009975, BB 0241921, FT-0647686, V2104, EN300-01883, MFCD00095178 (95%), S-2746, 209C023, I01-4553, InChI=1/C8H6BrClO/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4H,5H, C8H6BrClO, 2-Chloro-4Bromoacetophenone, 2-chloro-4-bromoacetophenone, KST-1A9352, CID77882, 1- -2-CHLOROETHAN-1-ONE, 4-BROMO-2-CHLOROACETOPHENONE, AR-1B1752, 2'-CHLORO-4'-BROMOACETOPHENONE, 4400-05-9,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.929g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.489g/mol
Monoisotopic Mass	231.929g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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