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69735-35-9 | 5-(Bromomethyl);isoxazole
CAS No: 69735-35-9 Catalog No: AG005IDD MDL No:MFCD08669517
Product Description
Catalog Number:
AG005IDD
Chemical Name:
5-(Bromomethyl);isoxazole
CAS Number:
69735-35-9
Molecular Formula:
C4H4BrNO
Molecular Weight:
161.9847
MDL Number:
MFCD08669517
IUPAC Name:
5-(bromomethyl)-1,2-oxazole
InChI:
InChI=1S/C4H4BrNO/c5-3-4-1-2-6-7-4/h1-2H,3H2
InChI Key:
DKBISLDZVNXIFT-UHFFFAOYSA-N
SMILES:
BrCc1ccno1
Properties
Complexity:
59.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.948g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.986g/mol
Monoisotopic Mass:
160.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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