2-Bromo-4-fluoro-5-methylphenol

CAT: 0127-PC1023879-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1023879-01Size:250 mg

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

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CAS Number

1567219-62-8

MDL Number

MFCD28385370

Purity

97%

Smiles

C1 (c (cc (c (c1) O) Br) F) C

Chemical Information

2-Bromo-4-fluoro-5-methylphenol

CAS Number	1567219-62-8
PubChem CID	84672831
IUPAC Name	2-bromo-4-fluoro-5-methylphenol
Molecular Formula	C7H6BrFO
Molecular Weight	205.02
XLogP	2.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	120

SMILES

CC1=CC(=C(C=C1F)Br)O

InChI

InChI=1S/C7H6BrFO/c1-4-2-7(10)5(8)3-6(4)9/h2-3,10H,1H3

InChIKey

OQDPFYLNWVPEDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1567219-62-8

CID: 84672831

Formula: C7H6BrFO

MW: 205.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.02
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	203.95861
Monoisotopic Mass	203.95861
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120
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