Syn-4-Nitrobenzaldoxime [Deprotecting Agent]

CAT: 1299-RG-A260719-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A260719-01Size:10 mg

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CAS Number

3717-19-9

Synonyms

(E) -4-nitrobenzaldehyde oxime

Molecular Formula

C7H6N2O3

Molecular Weight

166.14

Product Name Synonym

(E) -4-nitrobenzaldehyde oxime

Chemical Information

4-Nitrobenzaldoxime

CAS Number	3717-19-9
PubChem CID	5374046
IUPAC Name	(NE)-N-[(4-nitrophenyl)methylidene]hydroxylamine
Molecular Formula	C7H6N2O3
Molecular Weight	166.13
XLogP	2
Topological Polar Surface Area	78.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	180

SMILES

C1=CC(=CC=C1/C=N/O)[N+](=O)[O-]

InChI

InChI=1S/C7H6N2O3/c10-8-5-6-1-3-7(4-2-6)9(11)12/h1-5,10H/b8-5+

InChIKey

WTLPAVBACRIHHC-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 3717-19-9

CID: 5374046

Formula: C7H6N2O3

MW: 166.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.13
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	166.03784206
Monoisotopic Mass	166.03784206
Topological Polar Surface Area	78.4 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	180
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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RM-D550400-01	4,4'-Dde

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