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4540-44-7 | 1-Bromo-3-chloro-2-propanol
CAS No: 4540-44-7 Catalog No: AG003E40 MDL No:MFCD07783144
Product Description
Catalog Number:
AG003E40
Chemical Name:
1-Bromo-3-chloro-2-propanol
CAS Number:
4540-44-7
MDL Number:
MFCD07783144
IUPAC Name:
1-bromo-3-chloropropan-2-ol
InChI:
InChI=1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2
InChI Key:
TVDCSPSRGSLXOV-UHFFFAOYSA-N
EC Number:
224-891-2
NSC Number:
173177
Properties
Complexity:
34
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.929g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.434g/mol
Monoisotopic Mass:
171.929g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Total synthesis of gymnorrhizol, an unprecedented 15-membered macrocyclic polydisulfide from the Chinese mangrove Bruguiera gymnorrhiza. | Organic letters 20070426 |
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