2-Bromo-5-fluoropyrimidine - CAS 947533-45-1
Catalog:
BB041489
Product Name:
2-Bromo-5-fluoropyrimidine
CAS:
947533-45-1
Synonyms:
2-bromo-5-fluoropyrimidine; 2-bromo-5-fluoropyrimidine
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BB041489
25 g
$688
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IUPAC Name: 2-bromo-5-fluoropyrimidine
Description: 2-Bromo-5-fluoropyrimidine (CAS# 947533-45-1) is a useful research chemical.
Molecular Weight: 176.97
Molecular Formula: C4H2BrFN2
Canonical SMILES: C1=C(C=NC(=N1)Br)F
InChI: InChI=1S/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H
InChI Key: ANSMRNCOBLTNBO-UHFFFAOYSA-N
Storage: Inert atmosphere, 2-8 °C
MDL: MFCD09835164
LogP: 1.37820
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word: Warning
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Complexity: 72.4
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 175.93854
Formal Charge: 0
Heavy Atom Count: 8
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 0
Isotope Atom Count: 0
Monoisotopic Mass: 175.93854
Rotatable Bond Count: 0
Topological Polar Surface Area: 25.8 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.3
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