4,5-Difluoro-2-nitrobenzaldehyde

CAT: 0926-ZFA16949-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-ZFA16949-01Size:250 mg

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CAS Number

149169-49-3

MDL Number

MFCD28154587

Smiles

C1=C (C (=CC (=C1F) F) [N+] (=O) [O-]) C=O

Molecular Formula

C7H3F2NO3

Molecular Weight

187.1 g/mol

Controlled

Chemical Information

4,5-Difluoro-2-nitrobenzaldehyde

CAS Number	149169-49-3
PubChem CID	19957297
IUPAC Name	4,5-difluoro-2-nitrobenzaldehyde
Molecular Formula	C7H3F2NO3
Molecular Weight	187.10
XLogP	1.4
Topological Polar Surface Area	62.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	218

SMILES

C1=C(C(=CC(=C1F)F)[N+](=O)[O-])C=O

InChI

InChI=1S/C7H3F2NO3/c8-5-1-4(3-11)7(10(12)13)2-6(5)9/h1-3H

InChIKey

ZDBVXHXVYPVPQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149169-49-3

CID: 19957297

Formula: C7H3F2NO3

MW: 187.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	187.10
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	187.00809928
Monoisotopic Mass	187.00809928
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	218
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
CFA22877-01	2,4-difluoro-5-nitrobenzaldehyde
KAC82563-01	2,6-Difluoro-4-nitrobenzaldehyde
GZA96611	2,6-Difluoro-3-nitrobenzaldehyde
GCA99004-01	4,5-dichloro-2-nitrobenzaldehyde
FT168983-01	2- (4-Trifluoromethylphenoxy) -5-nitrobenzaldehyde
KBA98570-01	2- (4-Fluorophenylthio) -5-nitrobenzaldehyde
LYA41286-01	2-Fluoro-4-methoxy-5-nitrobenzaldehyde
UGD77358-01	2,3,4-Trifluoro-5-nitrobenzaldehyde
FH124919-01	5-Hydroxy-4-methoxy-2-nitrobenzaldehyde
FB149165-01	4- (Benzyloxy) -5-methoxy-2-nitrobenzaldehyde

Catalog	Name
sc-343437	2,4-difluoro-5-nitrobenzaldehyde
PC1006480-01	2,5-Difluoro-4-nitrobenzaldehyde
PC905972-01	4,5-Difluoro-2-nitrobenzaldehyde
PC1004684-01	3,5-Difluoro-4-nitrobenzaldehyde
PC502148-01	3,5-Difluoro-2-nitrobenzaldehyde
PC501587	2,4-Difluoro-6-nitrobenzaldehyde
PC111304	2,6-Difluoro-4-nitrobenzaldehyde
PC500264-01	2,6-Difluoro-3-nitrobenzaldehyde
TRC-D453970-500MG	4,5-Dihydroxy-2-nitrobenzaldehyde
OR85117-01	4,5-Dichloro-2-nitrobenzaldehyde