Home Halogens 3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylic acid

3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylic acid

CAS No.:
1784389-77-0
Catalog Number:
AG01ELGP
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
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Product Description
Catalog Number:
AG01ELGP
Chemical Name:
3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylic acid
CAS Number:
1784389-77-0
Molecular Formula:
C7H6BrNO3
Molecular Weight:
232.0314
MDL Number:
MFCD31668581
IUPAC Name:
3-bromo-5-cyclopropyl-1,2-oxazole-4-carboxylic acid
InChI:
InChI=1S/C7H6BrNO3/c8-6-4(7(10)11)5(12-9-6)3-1-2-3/h3H,1-2H2,(H,10,11)
InChI Key:
KPASSSMHUJGVEF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)noc1C1CC1
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.953g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.033g/mol
Monoisotopic Mass:
230.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties