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Home > Pyridines > 900514-09-2
900514-09-2 | (1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 900514-09-2 Catalog No: AG00GRE7 MDL No:MFCD08688596
Product Description
Catalog Number:
AG00GRE7
Chemical Name:
(1H-PYRROLO[2,3-B]PYRIDIN-5-YLMETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
900514-09-2
Molecular Formula:
C13H17N3O2
Molecular Weight:
247.2930
MDL Number:
MFCD08688596
IUPAC Name:
tert-butyl N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)carbamate
InChI:
InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-8-9-6-10-4-5-14-11(10)15-7-9/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)
InChI Key:
XIDJEMPYAHCGHE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cnc2c(c1)cc[nH]2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.298g/mol
Monoisotopic Mass:
247.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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