AG003E55

31984-10-8 | 1-Bromo-4-phenylbutan-2-one

AG003E55

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CAS Number	31984-10-8
Catalog Number	AG003E55(AGN-PC-0NJL8X)
Chemical Name	1-Bromo-4-phenylbutan-2-one
IUPAC Name	1-bromo-4-phenylbutan-2-one
InChI	InChI=1S/C10H11BrO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key	APAZZDBYJISGLX-UHFFFAOYSA-N
MDL Number	MFCD11847199
Molecular Formula	C10H11BrO
Molecular Weight	227.0977
SMILES	O=C(CCC1=CC=CC=C1)CBr
Synonyms	1-bromo-4-phenylbutan-2-one, 31984-10-8, 1-bromo-4-phenyl-2-butanone, 1-bromo-4phenyl-2-butanone, 2-Butanone, 1-bromo-4-phenyl-, ACMC-20a1ou, SCHEMBL191218, 1-bromo-4-phenyl-butan-2-one, CTK4G8018, DTXSID40504234, APAZZDBYJISGLX-UHFFFAOYSA-N, ACT06493, BCP00253, ANW-53116, MFCD11847199, ZINC39253514, AKOS005145955, CS-W019479, MCULE-5957115741, RTC-061684, TRA0170967, AJ-99417, AK-40603, CJ-19882, DS-13590, SC-14428, AB0052029, DB-019088, TC-061684, 4CH-023619, AM20040164, FT-0083493, FT-0651461, ST24037896, A15476, A1-01065, I01-8018,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.101g/mol
Monoisotopic Mass	225.999g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number