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871013-27-3 | 7-(BROMOMETHYL)THIENO[3,2-D]PYRIMIDINE
CAS No: 871013-27-3 Catalog No: AG004U01 MDL No:
Product Description
Catalog Number:
AG004U01
Chemical Name:
7-(BROMOMETHYL)THIENO[3,2-D]PYRIMIDINE
CAS Number:
871013-27-3
Molecular Formula:
C7H5BrN2S
Molecular Weight:
229.0970
IUPAC Name:
7-(bromomethyl)thieno[3,2-d]pyrimidine
InChI:
InChI=1S/C7H5BrN2S/c8-1-5-3-11-6-2-9-4-10-7(5)6/h2-4H,1H2
InChI Key:
KLQPAQAYJCSWQB-UHFFFAOYSA-N
SMILES:
BrCc1csc2c1ncnc2
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.936g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.095g/mol
Monoisotopic Mass:
227.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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