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100005-12-7 | 3H-Cyclobut[b]indole, 4-chloro-2a,7b-dihydro-3-methyl-
CAS No: 100005-12-7 Catalog No: AG00009Y MDL No:
Product Description
Catalog Number:
AG00009Y
Chemical Name:
3H-Cyclobut[b]indole, 4-chloro-2a,7b-dihydro-3-methyl-
CAS Number:
100005-12-7
Molecular Formula:
C11H10ClN
Molecular Weight:
191.6568
IUPAC Name:
4-chloro-3-methyl-2a,7b-dihydrocyclobuta[b]indole
InChI:
InChI=1S/C11H10ClN/c1-13-10-6-5-7(10)8-3-2-4-9(12)11(8)13/h2-7,10H,1H3
InChI Key:
XRCKBDDDEHMQRB-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1N(C)C1C2C=C1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.658g/mol
Monoisotopic Mass:
191.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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