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100779-91-7 | 1H-Pyrrole, 1-(3-bromopropyl)-
CAS No: 100779-91-7 Catalog No: AG0002U6 MDL No:MFCD00191324
Product Description
Catalog Number:
AG0002U6
Chemical Name:
1H-Pyrrole, 1-(3-bromopropyl)-
CAS Number:
100779-91-7
Molecular Formula:
C7H10BrN
Molecular Weight:
188.0650
MDL Number:
MFCD00191324
IUPAC Name:
1-(3-bromopropyl)pyrrole
InChI:
InChI=1S/C7H10BrN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChI Key:
IXIXPLRTYIMRMC-UHFFFAOYSA-N
SMILES:
BrCCCn1cccc1
Properties
Complexity:
69.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.068g/mol
Monoisotopic Mass:
187g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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