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70814-40-3 | 2H-PYRROLO[3,2-F]BENZOXAZOLE
CAS No: 70814-40-3 Catalog No: AG005FU7 MDL No:MFCD18815144
Product Description
Catalog Number:
AG005FU7
Chemical Name:
2H-PYRROLO[3,2-F]BENZOXAZOLE
CAS Number:
70814-40-3
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD18815144
IUPAC Name:
2H-pyrrolo[3,2-f][1,3]benzoxazole
InChI:
InChI=1S/C9H6N2O/c1-2-10-7-4-9-8(3-6(1)7)11-5-12-9/h1-4H,5H2
InChI Key:
YHGGERSKRVIGRR-UHFFFAOYSA-N
SMILES:
C1Oc2c(=N1)cc1c(=NC=C1)c2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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