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17714-42-0 | Benzene, (1,3-dibromopropyl)-
CAS No: 17714-42-0 Catalog No: AG00254G MDL No:
Product Description
Catalog Number:
AG00254G
Chemical Name:
Benzene, (1,3-dibromopropyl)-
CAS Number:
17714-42-0
Molecular Formula:
C9H10Br2
Molecular Weight:
277.9837
IUPAC Name:
1,3-dibromopropylbenzene
InChI:
InChI=1S/C9H10Br2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
RSAHLRQANLPURU-UHFFFAOYSA-N
SMILES:
BrCCC(c1ccccc1)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:
3.6
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