5-Bromo-2,3-difluorobenzaldehyde

CAT: 0926-IAB32722Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-IAB32722Size:25 g

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CAS Number

633327-22-7

MDL Number

MFCD08669446

Smiles

C1=C (C=C (C (=C1C=O) F) F) Br

Molecular Formula

C7H3BrF2O

Molecular Weight

221.01 g/mol

Controlled

Chemical Information

5-Bromo-2,3-difluorobenzaldehyde

CAS Number	633327-22-7
PubChem CID	23070182
IUPAC Name	5-bromo-2,3-difluorobenzaldehyde
Molecular Formula	C7H3BrF2O
Molecular Weight	221.00
XLogP	2.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	153

SMILES

C1=C(C=C(C(=C1C=O)F)F)Br

InChI

InChI=1S/C7H3BrF2O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H

InChIKey

WNJTWTDADQWUFR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 633327-22-7

CID: 23070182

Formula: C7H3BrF2O

MW: 221.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	221.00
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	219.93353
Monoisotopic Mass	219.93353
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
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
KFA56422	4-Bromo-3,5-difluorobenzaldehyde
FB158617-01	2-Bromo-4,5-difluorobenzaldehyde
DNC15621	2-bromo-3,4-difluorobenzaldehyde
BDC71493	3-Bromo-2,4-difluorobenzaldehyde
FD64014-01	2,5-Difluorobenzaldehyde
EGA65059-01	2-Bromo-4,6-difluorobenzaldehyde
KWB57322-01	6-Bromo-3-chloro-2,4-difluorobenzaldehyde
FD104481-01	2,3-Difluorobenzaldehyde
ZDA35741-01	4- (Dimethylamino) -2,5-difluorobenzaldehyde
UGD71358-01	2- (Dimethylamino) -3,4-difluorobenzaldehyde

Catalog	Name
424244-01	3-Bromo-2,5-difluorobenzaldehyde
PC501964-01	2-Bromo-3,5-difluorobenzaldehyde
PC501901-01	5-Bromo-2,3-difluorobenzaldehyde
abx180416-01	3-Bromo-4,5-difluorobenzaldehyde
PC56208-01	4-Bromo-3,5-difluorobenzaldehyde
PC49270-01	2-Bromo-4,5-difluorobenzaldehyde
JH272174	4-Bromo-2,5-difluorobenzaldehyde
PC52118	5-Bromo-2,4-difluorobenzaldehyde
PC1016434	5-Bromo-4-ethoxy-2,3-difluorobenzaldehyde
PC1018645-01	5-Bromo-4-chloro-2,3-difluorobenzaldehyde