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23279-12-1 | 2-Propanol, 3-bromo-1,1,1-trichloro-3-nitro-
CAS No: 23279-12-1 Catalog No: AG002MQP MDL No:
Product Description
Catalog Number:
AG002MQP
Chemical Name:
2-Propanol, 3-bromo-1,1,1-trichloro-3-nitro-
CAS Number:
23279-12-1
Molecular Formula:
C3H3BrCl3NO3
Molecular Weight:
287.3238
IUPAC Name:
3-bromo-1,1,1-trichloro-3-nitropropan-2-ol
InChI:
InChI=1S/C3H3BrCl3NO3/c4-2(8(10)11)1(9)3(5,6)7/h1-2,9H
InChI Key:
XSSZFKZNAPYLIR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(C(Cl)(Cl)Cl)O)Br
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.836g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.315g/mol
Monoisotopic Mass:
284.836g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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