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116026-98-3 | Carbamic acid, N-(2-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 116026-98-3 Catalog No: AG000BFG MDL No:MFCD07367911
Product Description
Catalog Number:
AG000BFG
Chemical Name:
Carbamic acid, N-(2-bromo-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
116026-98-3
Molecular Formula:
C10H13BrN2O2
Molecular Weight:
273.1264
MDL Number:
MFCD07367911
IUPAC Name:
tert-butyl N-(2-bromopyridin-3-yl)carbamate
InChI:
InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14)
InChI Key:
QYWNZOFKKFIZAL-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccnc1Br)OC(C)(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.13g/mol
Monoisotopic Mass:
272.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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