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76920-73-5 | Pyrrolo[3,2-e]benzimidazole, 1,6-dihydro-1,7,8-trimethyl- (9CI)
CAS No: 76920-73-5 Catalog No: AG0057QB MDL No:
Product Description
Catalog Number:
AG0057QB
Chemical Name:
Pyrrolo[3,2-e]benzimidazole, 1,6-dihydro-1,7,8-trimethyl- (9CI)
CAS Number:
76920-73-5
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
1,7,8-trimethyl-6H-pyrrolo[3,2-e]benzimidazole
InChI:
InChI=1S/C12H13N3/c1-7-8(2)14-9-4-5-10-12(11(7)9)15(3)6-13-10/h4-6,14H,1-3H3
InChI Key:
CBALBFNRBVNFRM-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(c1C)c1c(cc2)ncn1C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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