4-Bromo-2-fluoropyridine

CAT: 0926-FB08153Size: 0.01 kgDry Ice: NoHazardous: No

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CAT#:0926-FB08153Size:0.01 kg

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CAS Number

128071-98-7

MDL Number

MFCD04112504

Smiles

C1=CN=C (C=C1Br) F

Molecular Formula

C5H3BrFN

Molecular Weight

175.99 g/mol

Controlled

Chemical Information

4-Bromo-2-fluoropyridine

CAS Number	128071-98-7
PubChem CID	2762851
IUPAC Name	4-bromo-2-fluoropyridine
Molecular Formula	C5H3BrFN
Molecular Weight	175.99
XLogP	2
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	78

SMILES

C1=CN=C(C=C1Br)F

InChI

InChI=1S/C5H3BrFN/c6-4-1-2-8-5(7)3-4/h1-3H

InChIKey

PTPTZLXZHPPVKG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128071-98-7

CID: 2762851

Formula: C5H3BrFN

MW: 175.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	175.99
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	174.94329
Monoisotopic Mass	174.94329
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.8
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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