Home Nitriles 3-Bromoisoxazole-5-carbonitrile

3-Bromoisoxazole-5-carbonitrile

CAS No.:
1241897-95-9
Catalog Number:
AG00HHK8
Molecular Formula:
C4HBrN2O
Molecular Weight:
172.9675
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$624
- +
1g
95%
1 week
United States
$1502
- +
Product Description
Catalog Number:
AG00HHK8
Chemical Name:
3-Bromoisoxazole-5-carbonitrile
CAS Number:
1241897-95-9
Molecular Formula:
C4HBrN2O
Molecular Weight:
172.9675
MDL Number:
MFCD22690277
IUPAC Name:
3-bromo-1,2-oxazole-5-carbonitrile
InChI:
InChI=1S/C4HBrN2O/c5-4-1-3(2-6)8-7-4/h1H
InChI Key:
BXIUIHYRVDAYGW-UHFFFAOYSA-N
SMILES:
Brc1cc(on1)C#N
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.927g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.969g/mol
Monoisotopic Mass:
171.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties