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125334-52-3 | 1H-Indole, 1-(3-bromopropyl)-
CAS No: 125334-52-3 Catalog No: AG000NI5 MDL No:
Product Description
Catalog Number:
AG000NI5
Chemical Name:
1H-Indole, 1-(3-bromopropyl)-
CAS Number:
125334-52-3
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
IUPAC Name:
1-(3-bromopropyl)indole
InChI:
InChI=1S/C11H12BrN/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,7-8H2
InChI Key:
AKGMBEQNHFJEDM-UHFFFAOYSA-N
SMILES:
BrCCCn1ccc2c1cccc2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.128g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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