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Home > Bromides > 1215206-48-6
1215206-48-6 | 2(3H)-Benzoxazolethione, 4,6-dibromo-
CAS No: 1215206-48-6 Catalog No: AG00157V MDL No:MFCD15143581
Product Description
Catalog Number:
AG00157V
Chemical Name:
2(3H)-Benzoxazolethione, 4,6-dibromo-
CAS Number:
1215206-48-6
Molecular Formula:
C7H3Br2NOS
Molecular Weight:
308.9778
MDL Number:
MFCD15143581
IUPAC Name:
4,6-dibromo-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C7H3Br2NOS/c8-3-1-4(9)6-5(2-3)11-7(12)10-6/h1-2H,(H,10,12)
InChI Key:
CZCGAMAWAYOEJD-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)cc2c1[nH]c(=S)o2
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.828g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.975g/mol
Monoisotopic Mass:
306.83g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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