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175393-04-1 | Carbamic acid, (5-bromopyrazinyl)-, phenylmethyl ester (9CI)
CAS No: 175393-04-1 Catalog No: AG0020YI MDL No:
Product Description
Catalog Number:
AG0020YI
Chemical Name:
Carbamic acid, (5-bromopyrazinyl)-, phenylmethyl ester (9CI)
CAS Number:
175393-04-1
Molecular Formula:
C12H10BrN3O2
Molecular Weight:
308.1307
IUPAC Name:
benzyl N-(5-bromopyrazin-2-yl)carbamate
InChI:
InChI=1S/C12H10BrN3O2/c13-10-6-15-11(7-14-10)16-12(17)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16,17)
InChI Key:
FIPASGABSJVBBJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cnc(cn1)Br)OCc1ccccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.135g/mol
Monoisotopic Mass:
306.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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