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144096-31-1 | Benzoyl chloride, 4-(1H-pyrrol-1-ylmethyl)-
CAS No: 144096-31-1 Catalog No: AG001IX6 MDL No:
Product Description
Catalog Number:
AG001IX6
Chemical Name:
Benzoyl chloride, 4-(1H-pyrrol-1-ylmethyl)-
CAS Number:
144096-31-1
Molecular Formula:
C12H10ClNO
Molecular Weight:
219.6669
IUPAC Name:
4-(pyrrol-1-ylmethyl)benzoyl chloride
InChI:
InChI=1S/C12H10ClNO/c13-12(15)11-5-3-10(4-6-11)9-14-7-1-2-8-14/h1-8H,9H2
InChI Key:
QFDSHKICCNVYMB-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1)Cn1cccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.045g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.668g/mol
Monoisotopic Mass:
219.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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