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957995-85-6 | Benzo[d]oxazole-4-carboxamide
CAS No: 957995-85-6 Catalog No: AG00H7BN MDL No:MFCD13176731
Product Description
Catalog Number:
AG00H7BN
Chemical Name:
Benzo[d]oxazole-4-carboxamide
CAS Number:
957995-85-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD13176731
IUPAC Name:
1,3-benzoxazole-4-carboxamide
InChI:
InChI=1S/C8H6N2O2/c9-8(11)5-2-1-3-6-7(5)10-4-12-6/h1-4H,(H2,9,11)
InChI Key:
HZIDLPHYFPKXIE-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1nco2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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