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85850-01-7 | (Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-pyrrol-2-ylidene]methanamine
CAS No: 85850-01-7 Catalog No: AG004O80 MDL No:
Product Description
Catalog Number:
AG004O80
Chemical Name:
(Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-pyrrol-2-ylidene]methanamine
CAS Number:
85850-01-7
Molecular Formula:
C10H10BrN3O
Molecular Weight:
268.1099
IUPAC Name:
[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-1H-pyrrol-2-yl]methanimine
InChI:
InChI=1S/C10H10BrN3O/c1-15-9-4-7(13-8(9)5-12)6-2-3-10(11)14-6/h2-5,12-14H,1H3
InChI Key:
VSHYYQXFUIYXHP-UHFFFAOYSA-N
SMILES:
COC1=CC(=N/C/1=C\N)c1ccc([nH]1)Br
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.114g/mol
Monoisotopic Mass:
267.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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