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Home > Aldehydes > 1240598-14-4
1240598-14-4 | 4-Oxazolecarboxaldehyde, 2-bromo-5-methyl-
CAS No: 1240598-14-4 Catalog No: AG000LH2 MDL No:MFCD16989271
Product Description
Catalog Number:
AG000LH2
Chemical Name:
4-Oxazolecarboxaldehyde, 2-bromo-5-methyl-
CAS Number:
1240598-14-4
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
MDL Number:
MFCD16989271
IUPAC Name:
2-bromo-5-methyl-1,3-oxazole-4-carbaldehyde
InChI:
InChI=1S/C5H4BrNO2/c1-3-4(2-8)7-5(6)9-3/h2H,1H3
InChI Key:
XUUBBNUSESANLQ-UHFFFAOYSA-N
SMILES:
O=Cc1nc(oc1C)Br
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.943g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.996g/mol
Monoisotopic Mass:
188.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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