4-Bromo-2-fluoropyrimidine

CAT: 0926-JYB45822-01Size: 0.05 gDry Ice: NoHazardous: No

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CAT#:0926-JYB45822-01Size:0.05 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1209458-22-9

MDL Number

MFCD14702762

Smiles

C1=CN=C (N=C1Br) F

Molecular Formula

C4H2BrFN2

Molecular Weight

176.97 g/mol

Controlled

Chemical Information

4-Bromo-2-fluoropyrimidine

CAS Number	1209458-22-9
PubChem CID	53302347
IUPAC Name	4-bromo-2-fluoropyrimidine
Molecular Formula	C4H2BrFN2
Molecular Weight	176.97
XLogP	1.7
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	80

SMILES

C1=CN=C(N=C1Br)F

InChI

InChI=1S/C4H2BrFN2/c5-3-1-2-7-4(6)8-3/h1-2H

InChIKey

LKZPTSCEFXRIJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1209458-22-9

CID: 53302347

Formula: C4H2BrFN2

MW: 176.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.97
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	175.93854
Monoisotopic Mass	175.93854
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	80.4
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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