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874290-79-6

874290-79-6 | 2-nitro-4-(propylcarbamoyl)phenylboronic acid

CAS No: 874290-79-6 Catalog No: AG00IEJJ MDL No:

Product Description

Catalog Number:
AG00IEJJ
Chemical Name:
2-nitro-4-(propylcarbamoyl)phenylboronic acid
CAS Number:
874290-79-6
IUPAC Name:
[2-nitro-4-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BN2O5/c1-2-5-12-10(14)7-3-4-8(11(15)16)9(6-7)13(17)18/h3-4,6,15-16H,2,5H2,1H3,(H,12,14)
InChI Key:
NWFZUWGYPHJBJS-UHFFFAOYSA-N

Properties

Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.092g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
252.033g/mol
Monoisotopic Mass:
252.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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