4-Nitrobenzaldehyde 99% AR

CAT: 1278-01853 00100Size: 100 gDry Ice: NoHazardous: No

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CAT#:1278-01853 00100Size:100 g

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CAS Number

555-16-8

HS Code

29130090

Packaging Group

Chemical Information

4-Nitrobenzaldehyde

4-nitrobenzaldehyde is a C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group. It is a member of benzaldehydes and a C-nitro compound.

CAS Number	555-16-8
PubChem CID	541
IUPAC Name	4-nitrobenzaldehyde
Molecular Formula	C7H5NO3
Molecular Weight	151.12
XLogP	1.6
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	156

SMILES

C1=CC(=CC=C1C=O)[N+](=O)[O-]

InChI

InChI=1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H

InChIKey

BXRFQSNOROATLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 555-16-8

CID: 541

Formula: C7H5NO3

MW: 151.12

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	151.12
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	151.026943022
Monoisotopic Mass	151.026943022
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	156
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-W007577-01	4-Nitrobenzaldehyde
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233435-01	4-Nitrobenzaldehyde 99+%
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HY-W007577R	4-Nitrobenzaldehyde (Standard)

4-Nitrobenzaldehyde 99% AR

Chemical Information

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