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1215205-89-2 | Carbamic acid, N-(5-bromo-2-pyrimidinyl)-N-cyclopropyl-, 1,1-dimethylethyl ester
CAS No: 1215205-89-2 Catalog No: AG00156J MDL No:MFCD13195788
Product Description
Catalog Number:
AG00156J
Chemical Name:
Carbamic acid, N-(5-bromo-2-pyrimidinyl)-N-cyclopropyl-, 1,1-dimethylethyl ester
CAS Number:
1215205-89-2
Molecular Formula:
C12H16BrN3O2
Molecular Weight:
314.1783
MDL Number:
MFCD13195788
IUPAC Name:
tert-butyl N-(5-bromopyrimidin-2-yl)-N-cyclopropylcarbamate
InChI:
InChI=1S/C12H16BrN3O2/c1-12(2,3)18-11(17)16(9-4-5-9)10-14-6-8(13)7-15-10/h6-7,9H,4-5H2,1-3H3
InChI Key:
AEFKUGYFFRKJFT-UHFFFAOYSA-N
SMILES:
O=C(N(c1ncc(cn1)Br)C1CC1)OC(C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.183g/mol
Monoisotopic Mass:
313.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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