Home Nitros 7-nitro-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol

7-nitro-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol

CAS No.:
1335095-07-2
Catalog Number:
AG01B5MX
Molecular Formula:
C8H8BNO4
Molecular Weight:
192.9644
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Product Description
Catalog Number:
AG01B5MX
Chemical Name:
7-nitro-3,4-dihydro-1H-2,1-benzoxaborinin-1-ol
CAS Number:
1335095-07-2
Molecular Formula:
C8H8BNO4
Molecular Weight:
192.9644
MDL Number:
MFCD28009205
IUPAC Name:
1-hydroxy-7-nitro-3,4-dihydro-2,1-benzoxaborinine
InChI:
InChI=1S/C8H8BNO4/c11-9-8-5-7(10(12)13)2-1-6(8)3-4-14-9/h1-2,5,11H,3-4H2
InChI Key:
KSLYOAYMEHCMIH-UHFFFAOYSA-N
SMILES:
OB1OCCc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.055g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.965g/mol
Monoisotopic Mass:
193.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties