Home Carboxys 7-Bromoquinoline-4-carboxylic acid

7-Bromoquinoline-4-carboxylic acid

CAS No.:
31009-04-8
Catalog Number:
AG0031X7
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
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Product Description
Catalog Number:
AG0031X7
Chemical Name:
7-Bromoquinoline-4-carboxylic acid
CAS Number:
31009-04-8
Molecular Formula:
C10H6BrNO2
Molecular Weight:
252.0641
MDL Number:
MFCD11108751
IUPAC Name:
7-bromoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
InChI Key:
ZIFXOUMGHUOZED-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)nccc2C(=O)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.958g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.067g/mol
Monoisotopic Mass:
250.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties