Home Other Building Blocks 3-BroMo-4-cyclopropylbenzoic acid

3-BroMo-4-cyclopropylbenzoic acid

CAS No.:
1131622-50-8
Catalog Number:
AG0095GZ
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
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Product Description
Catalog Number:
AG0095GZ
Chemical Name:
3-BroMo-4-cyclopropylbenzoic acid
CAS Number:
1131622-50-8
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
MDL Number:
MFCD11110859
IUPAC Name:
3-bromo-4-cyclopropylbenzoic acid
InChI:
InChI=1S/C10H9BrO2/c11-9-5-7(10(12)13)3-4-8(9)6-1-2-6/h3-6H,1-2H2,(H,12,13)
InChI Key:
YGSSCOWWLLABAH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Br)C1CC1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties