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78800-74-5 | 2,3-Butanediol, 1,4-dichloro-1,1,4,4-tetranitro-
CAS No: 78800-74-5 Catalog No: AG005DHH MDL No:
Product Description
Catalog Number:
AG005DHH
Chemical Name:
2,3-Butanediol, 1,4-dichloro-1,1,4,4-tetranitro-
CAS Number:
78800-74-5
Molecular Formula:
C4H4Cl2N4O10
Molecular Weight:
339.0014
IUPAC Name:
1,4-dichloro-1,1,4,4-tetranitrobutane-2,3-diol
InChI:
InChI=1S/C4H4Cl2N4O10/c5-3(7(13)14,8(15)16)1(11)2(12)4(6,9(17)18)10(19)20/h1-2,11-12H
InChI Key:
IYLJVNHALXCASA-UHFFFAOYSA-N
SMILES:
OC(C([N+](=O)[O-])([N+](=O)[O-])Cl)C(C([N+](=O)[O-])([N+](=O)[O-])Cl)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.93g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.994g/mol
Monoisotopic Mass:
337.93g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
224A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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