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Home > Bromides > 1373253-25-8
1373253-25-8 | 5-Oxazolecarboxylic acid, 2-bromo-
CAS No: 1373253-25-8 Catalog No: AG001350 MDL No:MFCD21604290
Product Description
Catalog Number:
AG001350
Chemical Name:
5-Oxazolecarboxylic acid, 2-bromo-
CAS Number:
1373253-25-8
Molecular Formula:
C4H2BrNO3
Molecular Weight:
191.9676
MDL Number:
MFCD21604290
IUPAC Name:
2-bromo-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C4H2BrNO3/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChI Key:
KJBUGQHOPFBVOK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(o1)Br
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.922g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.968g/mol
Monoisotopic Mass:
190.922g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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