AG0074BC

43229-01-2 | 1-(4-(BENZYLOXY)-3-NITROPHENYL)-2-BROMOETHANONE

AG0074BC

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CAS Number	43229-01-2
Catalog Number	AG0074BC(AGN-PC-0NFPHP)
Chemical Name	1-(4-(BENZYLOXY)-3-NITROPHENYL)-2-BROMOETHANONE
EC Number	610-115-3
IUPAC Name	2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone
InChI	InChI=1S/C15H12BrNO4/c16-9-14(18)12-6-7-15(13(8-12)17(19)20)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2
InChI Key	PBAAKBQGBSUCTG-UHFFFAOYSA-N
MDL Number	MFCD06797599
Molecular Formula	C15H12BrNO4
Molecular Weight	350.1641
SMILES	BrCC(C1=CC=C(OCC2=CC=CC=C2)C([N+]([O-])=O)=C1)=O
Synonyms	43229-01-2, 1-(4-(Benzyloxy)-3-nitrophenyl)-2-bromoethanone, 2-Bromo-4'-benzyloxy-3'-nitroacetophenone, 1-(4-Benzyloxy-3-nitro-phenyl)-2-bromo-ethanone, 2-BROMO-1-[3-NITRO-4-(PHENYLMETHOXY)PHENYL]-ETHANONE, 1-(4-Benzyloxy-3-nitrophenyl)-2-bromoethanone, 2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone, 4-BENZYLOXY-3-NITRO-ALPHA-BROMOACETOPHENONE, AK-81461, C15H12BrNO4, 4'-(BENZYLOXY)-2-BROMO-3'-NITROACETOPHENONE, 2-BROMO-1-[3-NITRO-4-(PHENYLMETHOXY)PHENYL]ETHAN-1-ONE, PubChem7422, SCHEMBL273831, CTK1D5758, KS-00000MJF, DTXSID90454831, PBAAKBQGBSUCTG-UHFFFAOYSA-N, ACT00898, BCP12417, ANW-46726, CB-699, MFCD06797599, ZINC22011955, AKOS000282823, AB29701, ACN-001457, AS05094, CS-W020202, HCH0011227, AC-22049, AJ-80501, BC003244, BC224550, CC-09468, DS-16230, EN002656, Q799, SC-04474, SY102440, 4'-Benzyloxy-2-bromo-3'-nitroacetophenone, AB0017811, AX8006485, DB-051059, ST2414994, TC-135471, 4CH-014751, FT-0639841, 4'-Benzyloxy-3'-nitro-alpha-bromoacetophenone, MFCD06797599 (97%), 229B012, A826228, C-20611, I01-1624, 1-[4-(benzyloxy)-3-nitrophenyl]-2-bromoethan-1-one, 2-bromanyl-1-(3-nitro-4-phenylmethoxy-phenyl)ethanone, 2-Bromo-4 inverted exclamation mark -benzyloxy-3 inverted exclamation mark -nitroacetophenone, CID11089410, 2-Bromo-1-[3-Nitro-4-(Phenylmethoxy)Phenyl]Ethanone, 2-bromo-1-(3-nitro-4-phenylmethoxy-phenyl)ethanone,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	348.995g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	350.168g/mol
Monoisotopic Mass	348.995g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number