Home Halogens Ethyl 2-bromopyrimidine-4-carboxylate

Ethyl 2-bromopyrimidine-4-carboxylate

CAS No.:
1207954-85-5
Catalog Number:
AG00940B
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
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Product Description
Catalog Number:
AG00940B
Chemical Name:
Ethyl 2-bromopyrimidine-4-carboxylate
CAS Number:
1207954-85-5
Molecular Formula:
C7H7BrN2O2
Molecular Weight:
231.0467
MDL Number:
MFCD27923790
IUPAC Name:
ethyl 2-bromopyrimidine-4-carboxylate
InChI:
InChI=1S/C7H7BrN2O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3
InChI Key:
KIHGFOZQRZTADP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(n1)Br
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.969g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.049g/mol
Monoisotopic Mass:
229.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties