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16386-65-5 | Benzenamine, 2-chloro-6-(4-chloro-1H-pyrrol-3-yl)-
CAS No: 16386-65-5 Catalog No: AG001UG7 MDL No:
Product Description
Catalog Number:
AG001UG7
Chemical Name:
Benzenamine, 2-chloro-6-(4-chloro-1H-pyrrol-3-yl)-
CAS Number:
16386-65-5
Molecular Formula:
C10H8Cl2N2
Molecular Weight:
227.0899
IUPAC Name:
2-chloro-6-(4-chloro-1H-pyrrol-3-yl)aniline
InChI:
InChI=1S/C10H8Cl2N2/c11-8-3-1-2-6(10(8)13)7-4-14-5-9(7)12/h1-5,14H,13H2
InChI Key:
RWAXAHFFXZKMPA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1N)c1c[nH]cc1Cl
NSC Number:
637280
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.088g/mol
Monoisotopic Mass:
226.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| The second enzyme in pyrrolnitrin biosynthetic pathway is related to the heme-dependent dioxygenase superfamily. | Biochemistry 20071030 |
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