3,4-Dihydroxy-6-nitrobenzaldehyde

CAT: 0926-FD67691-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FD67691-01Size:5 g

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CAS Number

73635-75-3

Synonyms

6-Nitroprotocatechualdehyde;4,5-Dihydroxy-2-nitrobenzaldehyde

MDL Number

MFCD00016645

Smiles

C1=C (C (=CC (=C1O) O) [N+] (=O) [O-]) C=O

Molecular Formula

C7H5NO5

Molecular Weight

183.12 g/mol

Controlled

Chemical Information

4,5-Dihydroxy-2-nitrobenzaldehyde

CAS Number	73635-75-3
PubChem CID	3782344
IUPAC Name	4,5-dihydroxy-2-nitrobenzaldehyde
Molecular Formula	C7H5NO5
Molecular Weight	183.12
XLogP	0.5
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	213

SMILES

C1=C(C(=CC(=C1O)O)[N+](=O)[O-])C=O

InChI

InChI=1S/C7H5NO5/c9-3-4-1-6(10)7(11)2-5(4)8(12)13/h1-3,10-11H

InChIKey

SDAAKNQPCGUCNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73635-75-3

CID: 3782344

Formula: C7H5NO5

MW: 183.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.12
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	183.01677226
Monoisotopic Mass	183.01677226
Topological Polar Surface Area	103 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	213
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

Catalog	Name
FD22089-01	3,4-Dihydroxy-5-nitrobenzaldehyde
FD70104-01	3,4-Dihydroxy-2-nitrobenzaldehyde
FD12530-01	3,4-Dimethoxy-6-nitrobenzaldehyde
FC65820-01	2-Chloro-3,4-dimethoxy-6-nitrobenzaldehyde
KAC82563-01	2,6-Difluoro-4-nitrobenzaldehyde
FDA41057	3-methoxy-4-nitrobenzaldehyde
FC67667-01	3-Chloro-4-nitrobenzaldehyde
SBA56441	4-Methylamino-3-nitrobenzaldehyde
FH67250-01	3-Hydroxy-4-nitrobenzaldehyde
FH32308-01	4-Hydroxy-3-nitrobenzaldehyde

Catalog	Name
sc-322722	3,4-Dihydroxy-6-nitrobenzaldehyde
TRC-D454173-250MG	3,4-Dihydroxy-2-nitrobenzaldehyde
sc-470072	3,4-Dihydroxy-5-nitrobenzaldehyde
TRC-D453970-500MG	4,5-Dihydroxy-2-nitrobenzaldehyde
OR1027593-01	2,4-Dihydroxy-5-Nitrobenzaldehyde
OR98264-01	2,3-dihydroxy-5-nitrobenzaldehyde
271055-01	3,4-Dimethoxy-6-nitrobenzaldehyde
OR71158	3-Chloro-4-bromo-6-nitrobenzaldehyde
OR1055646-01	2,3,4-Trimethoxy-6-nitrobenzaldehyde
sc-232155	3,6-Dihydroxy-4-methylpyridazine