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1314390-34-5 | Carbamic acid, N-(2-bromo-5-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1314390-34-5 Catalog No: AG000W6F MDL No:MFCD26403153
Product Description
Catalog Number:
AG000W6F
Chemical Name:
Carbamic acid, N-(2-bromo-5-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1314390-34-5
Molecular Formula:
C9H12BrN3O2
Molecular Weight:
274.1145
MDL Number:
MFCD26403153
IUPAC Name:
tert-butyl N-(2-bromopyrimidin-5-yl)carbamate
InChI:
InChI=1S/C9H12BrN3O2/c1-9(2,3)15-8(14)13-6-4-11-7(10)12-5-6/h4-5H,1-3H3,(H,13,14)
InChI Key:
DCZMUYVBEYQGFQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc(nc1)Br)OC(C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.011g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.118g/mol
Monoisotopic Mass:
273.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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