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127257-87-8 | 1H-Pyrrole, 1-(3-bromophenyl)-2,5-dimethyl-
CAS No: 127257-87-8 Catalog No: AG000WTU MDL No:MFCD04308119
Product Description
Catalog Number:
AG000WTU
Chemical Name:
1H-Pyrrole, 1-(3-bromophenyl)-2,5-dimethyl-
CAS Number:
127257-87-8
Molecular Formula:
C12H12BrN
Molecular Weight:
250.1344
MDL Number:
MFCD04308119
IUPAC Name:
1-(3-bromophenyl)-2,5-dimethylpyrrole
InChI:
InChI=1S/C12H12BrN/c1-9-6-7-10(2)14(9)12-5-3-4-11(13)8-12/h3-8H,1-2H3
InChI Key:
DRFJJKOQBRMRCL-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)n1c(C)ccc1C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.139g/mol
Monoisotopic Mass:
249.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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