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39876-88-5 | 4-Chlorobenzofuro[3,2-d]pyrimidine
CAS No: 39876-88-5 Catalog No: AG0037X2 MDL No:MFCD00763943
Product Description
Catalog Number:
AG0037X2
Chemical Name:
4-Chlorobenzofuro[3,2-d]pyrimidine
CAS Number:
39876-88-5
Molecular Formula:
C10H5ClN2O
Molecular Weight:
204.6125
MDL Number:
MFCD00763943
IUPAC Name:
4-chloro-[1]benzofuro[3,2-d]pyrimidine
InChI:
InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
InChI Key:
ABRHSRPOYMSBOI-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1oc1c2cccc1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.009g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.613g/mol
Monoisotopic Mass:
204.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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