Name: Name:2H-Pyrido[3,4-b]indole-2-carboxylic acid, 7-bromo-1,3,4,9-tetrahydro-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG01CCU8
Rating: 90 (10 reviews)

2H-Pyrido[3,4-b]indole-2-carboxylic acid, 7-bromo-1,3,4,9-tetrahydro-,1,1-dimethylethyl ester

CAS No.:

196203-96-0

Catalog Number:

AG01CCU8

Molecular Formula:

C16H19BrN2O2

Molecular Weight:

351.2383

Catalog Number:

AG01CCU8

Chemical Name:

2H-Pyrido[3,4-b]indole-2-carboxylic acid, 7-bromo-1,3,4,9-tetrahydro-,1,1-dimethylethyl ester

CAS Number:

196203-96-0

Molecular Formula:

C16H19BrN2O2

Molecular Weight:

351.2383

MDL Number:

MFCD27979695

IUPAC Name:

tert-butyl 7-bromo-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

InChI:

InChI=1S/C16H19BrN2O2/c1-16(2,3)21-15(20)19-7-6-12-11-5-4-10(17)8-13(11)18-14(12)9-19/h4-5,8,18H,6-7,9H2,1-3H3

InChI Key:

KHGVHXBAVPSADH-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)[nH]c1c2CCN(C1)C(=O)OC(C)(C)C

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

350.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

351.244g/mol

Monoisotopic Mass:

350.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5