5-Bromopicolinaldehyde oxime

CAT: 0127-OR1049668-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1049668-01Size:100 mg

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CAS Number

501939-52-2

MDL Number

MFCD26852695

Purity

95%

Smiles

BrC1=CN=C(C=NO)C=C1

Chemical Information

5-Bromopicolinaldehyde oxime

CAS Number	501939-52-2
PubChem CID	135732696
IUPAC Name	(NE)-N-[(5-bromo-2-pyridinyl)methylidene]hydroxylamine
Molecular Formula	C6H5BrN2O
Molecular Weight	201.02
XLogP	1.6
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	129

SMILES

C1=CC(=NC=C1Br)/C=N/O

InChI

InChI=1S/C6H5BrN2O/c7-5-1-2-6(4-9-10)8-3-5/h1-4,10H/b9-4+

InChIKey

REIWTWVVFCFHCB-RUDMXATFSA-N

Chemical Structure

2D Structure

CAS: 501939-52-2

CID: 135732696

Formula: C6H5BrN2O

MW: 201.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.02
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	199.95853
Monoisotopic Mass	199.95853
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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

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