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1039830-84-6 | 3-iodo-N-[(1-methyl-1H-pyrrol-2-yl)methyl]aniline
CAS No: 1039830-84-6 Catalog No: AG01AWHR MDL No:MFCD16661327
Product Description
Catalog Number:
AG01AWHR
Chemical Name:
3-iodo-N-[(1-methyl-1H-pyrrol-2-yl)methyl]aniline
CAS Number:
1039830-84-6
Molecular Formula:
C12H13IN2
Molecular Weight:
312.1495
MDL Number:
MFCD16661327
IUPAC Name:
3-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
InChI:
InChI=1S/C12H13IN2/c1-15-7-3-6-12(15)9-14-11-5-2-4-10(13)8-11/h2-8,14H,9H2,1H3
InChI Key:
VKBMKWKFPSCIKO-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NCc1cccn1C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.154g/mol
Monoisotopic Mass:
312.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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