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1586-98-7 | Benzene, (2,3-dibromopropyl)-
CAS No: 1586-98-7 Catalog No: AG001QCP MDL No:
Product Description
Catalog Number:
AG001QCP
Chemical Name:
Benzene, (2,3-dibromopropyl)-
CAS Number:
1586-98-7
Molecular Formula:
C9H10Br2
Molecular Weight:
277.9837
IUPAC Name:
2,3-dibromopropylbenzene
InChI:
InChI=1S/C9H10Br2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
NLQLBYPTOCXBJE-UHFFFAOYSA-N
SMILES:
BrCC(Cc1ccccc1)Br
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.913g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.987g/mol
Monoisotopic Mass:
275.915g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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