200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1379302-07-4
1379302-07-4 | 1,2-Benzisoxazole-3-carbonitrile, 6-bromo-
CAS No: 1379302-07-4 Catalog No: AG00144C MDL No:MFCD09027536
Product Description
Catalog Number:
AG00144C
Chemical Name:
1,2-Benzisoxazole-3-carbonitrile, 6-bromo-
CAS Number:
1379302-07-4
Molecular Formula:
C8H3BrN2O
Molecular Weight:
223.0262
MDL Number:
MFCD09027536
IUPAC Name:
6-bromo-1,2-benzoxazole-3-carbonitrile
InChI:
InChI=1S/C8H3BrN2O/c9-5-1-2-6-7(4-10)11-12-8(6)3-5/h1-3H
InChI Key:
XNSKXVTXELDYHK-UHFFFAOYSA-N
SMILES:
N#Cc1noc2c1ccc(c2)Br
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.943g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.029g/mol
Monoisotopic Mass:
221.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.