1- (3-bromophenyl) ethanone oxime

CAT: 0127-OR1097334-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097334-01Size:250 mg

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CAS Number

187672-17-9

MDL Number

MFCD00219816

Purity

97%

Smiles

C1ccc (cc1Br) /C (=N/O) /C

Chemical Information

1-(3-Bromophenyl)ethanone oxime

CAS Number	187672-17-9
PubChem CID	9584507
IUPAC Name	(NE)-N-[1-(3-bromophenyl)ethylidene]hydroxylamine
Molecular Formula	C8H8BrNO
Molecular Weight	214.06
XLogP	2.6
Topological Polar Surface Area	32.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

C/C(=N\O)/C1=CC(=CC=C1)Br

InChI

InChI=1S/C8H8BrNO/c1-6(10-11)7-3-2-4-8(9)5-7/h2-5,11H,1H3/b10-6+

InChIKey

TUEQLTCSWQPJIV-UXBLZVDNSA-N

Chemical Structure

2D Structure

CAS: 187672-17-9

CID: 9584507

Formula: C8H8BrNO

MW: 214.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.06
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	212.97893
Monoisotopic Mass	212.97893
Topological Polar Surface Area	32.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1043188-01	Ethanone, 1- (4-bromophenyl) -, oxime
OR1080140-01	(E) -1- (2-bromophenyl) ethanone oxime
OR1094304-01	1- (3-ethoxyphenyl) ethanone oxime
OR1024588-01	1- (3-Amino-4-Bromophenyl) Ethanone
OR1064267-01	1- (Naphthalen-1-yl) ethanone oxime
OR1003402-01	1- (2-Furyl) -1-ethanone oxime
OR303598	1- (Pyridin-4-yl) ethanone oxime
OR25945-01	2-Bromo-1-phenyl-1-ethanone oxime
OR86366-01	1- (5-Amino-2-bromophenyl) ethanone
OR1074960-01	1- (2-Amino-6-bromophenyl) ethanone

Catalog	Name
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